SCHEMBL7807909

SCHEMBL7807909

Clc1ccc(Cn2c(-c3ccccn3)nc3ccccc32)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.54
OPRK1 P41145 2/20 0.54
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CTSD P07339 2/20 0.53
GUSB P08236 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
GRM2 Q14416 1/20 0.51
TSHR P16473 1/20 0.50
KCNK13 Q9HB14 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE6D O43924 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
SCHEMBL29411979 0.86 ALDH1A1 (0.66) KMT2ANPSR1KDM4ECYP1A2CYP2C9
SCHEMBL230485 0.86 ALDH1A1 (0.66) KMT2ANPSR1KDM4ECYP1A2CYP2C9
SCHEMBL10353548 0.78 KMT2A (0.71) KMT2ANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL8021682 0.78 TP53 (0.77) KMT2ANPSR1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL28381278 0.78 CTSD (0.60) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4893740 0.77 KMT2A (1.00) KMT2ACYP1A2ALDH1A1HTT
SCHEMBL10353137 0.77 KMT2A (0.71) KMT2ASMN1; SMN2TSHRALDH1A1HTT
SCHEMBL13508743 0.76 KMT2A (0.66) KMT2ACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL7808509 0.76 DRD2 (0.69) KMT2AKDM4ECTSDGUSBL3MBTL1
SCHEMBL2607591 0.76 CTSD (0.59) KMT2AKDM4ECTSDGUSBTSHR

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
EP-0830344-B1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS AMERICAN HOME PROD (US) 2001-11-28 EP claimed
US-5763473-A Use of 2-substituted benzimidazole as smooth muscle cell proliferation inhibitors AMERICAN HOME PROCUCTS CORPORATION (US) 1998-06-09 US claimed
EP-0830344-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP claimed
US-5654436-A INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-08-05 US claimed
WO-1996040644-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO claimed
EP-0830344-B1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS AMERICAN HOME PROD (US) 2001-11-28 EP disclosed
US-5763473-A Use of 2-substituted benzimidazole as smooth muscle cell proliferation inhibitors AMERICAN HOME PROCUCTS CORPORATION (US) 1998-06-09 US disclosed
EP-0830344-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP disclosed
US-5654436-A INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-08-05 US disclosed
WO-1996040644-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO disclosed