SCHEMBL6703840

SCHEMBL6703840

O=C(NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)ncn2-c1n[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
LMNA P02545 4/20 0.52
PPARG P37231 1/20 0.46
MAPK1 P28482 3/20 0.46
MAPK3 P27361 2/20 0.46
EPHX2 P34913 4/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
CASP6 P55212 1/20 0.43
MAPK8 P45983 2/20 0.43
NLRP1 Q9C000 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL6699272 0.89 TP53 (0.51) TP53LMNAPPARGMAPK1MAPK3
SCHEMBL6694919 0.85 TP53 (0.53) TP53LMNAPPARGMAPK1MAPK3
SCHEMBL6664832 0.85 TP53 (0.54) TP53LMNAMAPK1MAPTTDP1
SCHEMBL6702873 0.83 TP53 (0.47) TP53LMNAPPARGMAPK1EPHX2
SCHEMBL6702887 0.82 MAPK1 (0.49) TP53LMNAPPARGMAPK1MAPK3
SCHEMBL6694288 0.82 TP53 (0.51) TP53MAPK1MAPK3MAPTMAPK8
SCHEMBL6703136 0.81 TP53 (0.47) TP53LMNAPPARGMAPK1MAPK3
SCHEMBL6664702 0.81 TP53 (0.54) TP53LMNAPPARGMAPTTDP1
SCHEMBL6705339 0.79 TP53 (0.44) TP53LMNAMAPK1TDP1
SCHEMBL6700631 0.78 ALDH1A1 (0.46) TP53LMNAPPARGMAPK1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed