SCHEMBL27763520

SCHEMBL27763520

O=C(Nc1ccccc1)c1cccc2[nH]c(-c3ccc(Cl)o3)nc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.48
PARP1 P09874 8/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
NR2E3 Q9Y5X4 2/20 0.43
GRM5 P41594 1/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27742871 0.90 DHODH (0.44) DHODHPARP1PKN1PKN2NR2E3
SCHEMBL27763513 0.90 MMP2 (0.43) DHODHPARP1PKN1PKN2NR2E3
SCHEMBL27742891 0.88 DHODH (0.49) DHODHPARP1PKN1PKN2GRM5
SCHEMBL28780427 0.87 PARP1 (0.51) DHODHPARP1TP53MAPTPOLB
SCHEMBL27742898 0.87 MAPT (0.49) DHODHPARP1PKN1PKN2GRM5
SCHEMBL27742882 0.87 DHODH (0.48) DHODHPARP1PKN1PKN2GRM5
SCHEMBL27742877 0.87 DHODH (0.48) DHODHPARP1PKN1PKN2GRM5
SCHEMBL27742889 0.85 DHODH (0.46) DHODHPARP1PKN1PKN2MAPT
SCHEMBL27763532 0.85 PTGES (0.46) DHODHPARP1PKN1PKN2TP53
SCHEMBL27763515 0.85 DHODH (0.53) DHODHPARP1PKN1PKN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101434601-A 2-furyl-1H-benzimidazole-4-acidamide type derivative UNIV SHANGHAI JIAOTONG (CN) 2009-05-20 CN disclosed