SCHEMBL27763524

SCHEMBL27763524

O=C(Nc1ccccc1Br)c1cccc2[nH]c(-c3ccc(O)o3)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.42
KMT2A Q03164 2/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
PARP1 P09874 10/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL27742880 0.89 DHODH (0.46) DHODHKMT2APKN1PKN2PARP1
SCHEMBL27763529 0.89 DHODH (0.42) DHODHKMT2APKN1PKN2PARP1
SCHEMBL27742889 0.89 DHODH (0.46) DHODHKMT2APKN1PKN2PARP1
SCHEMBL27763523 0.88 MAPT (0.51) DHODHPKN1PKN2PARP1KDM4E
SCHEMBL27742870 0.85 MMP2 (0.52) DHODHKMT2APKN1PKN2PARP1
SCHEMBL27742891 0.85 DHODH (0.49) DHODHKMT2APKN1PKN2PARP1
SCHEMBL27763525 0.84 RAB9A (0.43) DHODHKMT2APKN1PKN2PARP1
SCHEMBL27763508 0.84 MMP2 (0.44) DHODHKMT2APKN1PKN2PARP1
SCHEMBL27763526 0.84 KCNMA1 (0.50) KMT2APKN1PKN2PARP1MEN1
SCHEMBL27742897 0.83 NPC1 (0.44) DHODHKMT2APKN1PKN2PARP1

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