SCHEMBL9078481

SCHEMBL9078481

Cn1cnc2cc(C(O)c3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.52
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TBXA2R P21731 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NOTUM Q6P988 1/20 0.39
HPGD P15428 2/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3437992 0.81 NPC1 (0.51) GRM5KMT2AKDM4EALDH1A1MAPT
SCHEMBL2737283 0.77 NPC1 (0.61) GRM5KMT2AKDM4EALDH1A1MAPT
SCHEMBL13567899 0.77 NPC1 (0.48) GRM5KMT2AKDM4EALDH1A1MAPT
SCHEMBL9524664 0.76 KEAP1 (0.52) KMT2AKDM4EALDH1A1MAPTNPC1
SCHEMBL23490153 0.74 NPC1 (0.51) GRM5KMT2AKDM4EALDH1A1MAPT
SCHEMBL6845144 0.74 NPC1 (0.51) GRM5KMT2AKDM4EALDH1A1MAPT
SCHEMBL7463707 0.74 CYP19A1 (0.60) KMT2AALDH1A1MAPTTP53HPGD
SCHEMBL9663826 0.74 HPGD (0.40) KMT2AKDM4EALDH1A1MAPTGAA
SCHEMBL18713730 0.73 NPC1 (0.50) GRM5KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL1915989 0.73 NPC1 (0.50) GRM5KMT2AKDM4EALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP 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-0371559-A2 Use of benzimidazoles in the treatment of epithelial disorders JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 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