SCHEMBL6699272

SCHEMBL6699272

O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)ncn2-c1n[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK10 P53779 4/20 0.49
MAPK8 P45983 3/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.47
IDO1 P14902 1/20 0.46
MAPK3 P27361 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
ITK Q08881 1/20 0.44
PPARG P37231 2/20 0.44
MAPT P10636 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
SCHEMBL6694288 0.91 TP53 (0.51) TP53TDP1MAPK10MAPK8IDO1
SCHEMBL6703840 0.89 TP53 (0.53) TP53TDP1MAPK10MAPK8LMNA
SCHEMBL6702887 0.89 MAPK1 (0.49) TP53TDP1LMNAIDO1MAPK3
SCHEMBL6703136 0.86 TP53 (0.47) TP53TDP1LMNAIDO1MAPK3
SCHEMBL6664702 0.85 TP53 (0.54) TP53TDP1POLBLMNAIDO1
SCHEMBL6694919 0.84 TP53 (0.53) TP53TDP1LMNAMAPK3MAPK1
SCHEMBL6664832 0.84 TP53 (0.54) TP53TDP1LMNAMAPK1MEN1
SCHEMBL6700631 0.83 ALDH1A1 (0.46) TP53TDP1LMNAMAPK3MAPK1
SCHEMBL6705339 0.82 TP53 (0.44) TP53TDP1POLBLMNAMAPK1
SCHEMBL6702873 0.81 TP53 (0.47) TP53TDP1MAPK10MAPK8POLB

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