SCHEMBL7986158

SCHEMBL7986158

COc1ccc(Cc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
MAPK10 P53779 1/20 0.52
ACHE P22303 5/20 0.50
BCHE P06276 4/20 0.50
F10 P00742 1/20 0.47
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
PDE2A O00408 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL18535239 0.80 POLB (1.00) POLBHPGDALDH1A1KDM4ETSHR
SCHEMBL7406230 0.78 F10 (0.64) F10
SCHEMBL8325649 0.77 HDAC1 (0.57) POLBHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL4345082 0.76 NPSR1 (0.56) POLBHPGDALDH1A1KDM4ETSHR
SCHEMBL13991772 0.76 SMN1; SMN2 (0.56) POLBHPGDALDH1A1KDM4ETSHR
SCHEMBL1800781 0.76 HPGDS (0.52) ALDH1A1TSHRMAPK10SMN1; SMN2
SCHEMBL7621431 0.76 KDM4E (0.51) POLBHPGDALDH1A1KDM4EACHE
SCHEMBL7621435 0.76 KDM4E (0.51) POLBHPGDALDH1A1KDM4EACHE
SCHEMBL7996355 0.76 SMN1; SMN2 (0.51) POLBHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL4065081 0.75 KDM4E (0.51) POLBHPGDALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288100-B1 SUCH AS PHENYL-(2-PROPYL-1H-BENZIMIDAZOL-5-YL)-METHANONE USEFUL AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US claimed
EP-0830343-A1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP claimed
WO-1996039390-A1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 WO claimed
US-6288100-B1 SUCH AS PHENYL-(2-PROPYL-1H-BENZIMIDAZOL-5-YL)-METHANONE USEFUL AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US disclosed
EP-0830343-A1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP disclosed
WO-1996039390-A1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 WO disclosed