Irtemazole

Irtemazole

SCHEMBL7453697

Cc1nc2cc(C(c3ccccc3)n3ccnc3)ccc2[nH]1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.57
CYP19A1 P11511 10/20 0.57
CYP17A1 P05093 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
USP2 O75604 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PLA2G1B P04054 1/20 0.54
TP53 P04637 1/20 0.54
PGR P06401 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
MAOA P21397 1/20 0.54
CNR1 P21554 1/20 0.54
HTR2A P28223 1/20 0.54
MAPK1 P28482 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Irtemazole SCHEMBL9717354 1.00 CYP26A1 (0.57) CYP26A1CYP19A1CYP17A1MEN1NR1I2
Irtemazole SCHEMBL636285 0.91 CYP26A1 (0.57) CYP26A1CYP19A1CYP17A1MEN1NR1I2
SCHEMBL9663550 0.89 CYP19A1 (0.65) CYP26A1CYP19A1CYP17A1MEN1NR1I2
SCHEMBL9664150 0.89 CYP19A1 (0.51) CYP26A1CYP19A1CYP17A1MEN1NR1I2
SCHEMBL9190606 0.86 CYP26A1 (0.53) CYP26A1CYP19A1CYP17A1MEN1NR1I2
SCHEMBL9663750 0.86 CYP26A1 (0.55) CYP26A1CYP19A1CYP17A1MEN1NR1I2
SCHEMBL9663498 0.86 CYP26A1 (0.57) CYP26A1CYP19A1CYP17A1MEN1NR1I2
SCHEMBL19054891 0.84 CYP17A1 (0.54) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL9662847 0.83 CYP26A1 (0.54) CYP26A1CYP19A1CYP17A1MEN1NR1I2
Hydrochloric Acid SCHEMBL9664030 0.83 CYP17A1 (0.53) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371559-B1 Use of benzimidazoles in the treatment of epithelial disorders JANSSEN PHARMACEUTICA NV (BE) 1994-10-12 EP claimed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP claimed
EP-0514015-A1 Control of sex differentiation in fish MERCK & CO. INC. (US) 1992-11-19 EP claimed
US-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US claimed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP claimed
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP claimed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US claimed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP claimed
EP-0609963-B1 Topical compositions comprising benzimidazoles and benzotriazoles JANSSEN PHARMACEUTICA NV (BE) 2002-03-06 EP disclosed
US-5500435-A BENZIMIDAZOLES AND BENZOTRIAZOLES, TREATMENT OF RETINOID SENSITIVE SKIN DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1996-03-19 US disclosed
US-5420147-A Benzimidazoles, benzotriazoles, controlling metabolism of retinoids, skin cancer JANSSEN PHARMACEUTICA N.V. (BE) 1995-05-30 US disclosed
EP-0371559-B1 Use of benzimidazoles in the treatment of epithelial disorders JANSSEN PHARMACEUTICA NV (BE) 1994-10-12 EP disclosed
US-5342957-A Suppress the metabolism of retinoids JANSSEN PHARMACEUTICA N.V. (BE) 1994-08-30 US disclosed
EP-0609963-A1 Use of benzimidazoles and benzotriazoles in the treatment of epithelial disorders JANSSEN PHARMACEUTICA N.V. (BE) 1994-08-10 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
US-5157046-A Systemic or topical application of substituted benzimidazole or benzotriazole which suppresses retinoid metabolism JANSSEN PHARMACEUTICA N.V. (BE) 1992-10-20 US disclosed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP disclosed
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed