SCHEMBL5307129

SCHEMBL5307129

NC(=O)c1cccc(-c2ccc(C(N)=O)cc2-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.51
BAZ2A Q9UIF9 1/20 0.51
PARP1 P09874 6/20 0.50
DHODH Q02127 2/20 0.50
FYN P06241 2/20 0.50
CHEK2 O96017 2/20 0.50
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
MAPK13 O15264 1/20 0.50
PDPK1 O15530 1/20 0.50
DYRK3 O43781 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
PRKD3 O94806 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
NTRK1 P04629 1/20 0.50

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
SCHEMBL2026663 0.93 L3MBTL1 (0.52) PARP1DHODHFYNCHEK2CDC7
SCHEMBL30903715 0.93 L3MBTL1 (0.52) PARP1DHODHFYNCHEK2CDC7
Hydrochloric Acid SCHEMBL28812686 0.91 CHEK2 (0.50) PARP1DHODHFYNCHEK2CDC7
SCHEMBL5307077 0.91 PARP1 (0.56) BAZ2BBAZ2APARP1DHODHFYN
SCHEMBL3809549 0.86 KMO (0.63) POLBFNTAFNTBPGGT1BKMO
SCHEMBL22289582 0.84 CHEK2 (0.51) DHODHCHEK2LCKMAPK1MAPT
SCHEMBL8542133 0.83 PDCD1 (0.49) FYNCHEK2CDC7PLK4CHEK1
SCHEMBL43553 0.81 DHODH (0.70) PARP1DHODHFYNCHEK2CDC7
SCHEMBL29788172 0.81 DHODH (0.70) PARP1DHODHFYNCHEK2CDC7
SCHEMBL3937210 0.80 PLAU (0.52) PARP1CHEK2CSF1RFLT1FLT3

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
WO-2007025575-A1 O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 WO disclosed