SCHEMBL9523331

SCHEMBL9523331

O=[N+]([O-])c1cc(Cn2ccnc2)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
CYP19A1 P11511 8/20 0.62
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP11B1 P15538 7/20 0.54
CYP11B2 P19099 7/20 0.54
CYP2A6 P11509 1/20 0.51
CYP2B6 P20813 1/20 0.51
KMT2A Q03164 1/20 0.49

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
SCHEMBL77675 0.89 ALDH1A1 (0.64) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9527373 0.84 ALDH1A1 (0.67) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL76730 0.81 ALDH1A1 (0.64) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL10579958 0.81 ALDH1A1 (0.67) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL10577576 0.80 ALDH1A1 (0.56) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL30932257 0.79 CYP11B1 (0.67) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL28206073 0.79 CYP11B1 (0.67) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL9665076 0.79 ALDH1A1 (0.61) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9523915 0.78 ALDH1A1 (0.82) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL10581105 0.78 ALDH1A1 (0.63) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022184-C Process for preparing (1 H-imidzol-1-ylmethyl) substituted benzotriazole derivatives JANSSEN PHARMACEUTICA NV (BE) 1993-09-22 CN disclosed
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
CN-1020903-C (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THE PREPARATION THEREFOR JANSSEN PHARMACEUTICA NV (BE) 1993-05-26 CN disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US 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
CN-88103408-A Process for preparing (1H-oxazol-1-ylmethyl) substituted benzotriazole derivatives 1988-12-14 CN disclosed
CN-87106423-A Novel (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and process for their preparation 1988-04-20 CN disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed