SCHEMBL31854

SCHEMBL31854

Cc1ccsc1C(=O)Nc1cc(CCl)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.63
▸ AURKB Q96GD4 2/20 0.63
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ SENP8 Q96LD8 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ SENP6 Q9GZR1 2/20 0.38
▸ FGFR1 P11362 2/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL31824 0.92 AURKA (0.66) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4313957 0.92 AURKA (0.66) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4321146 0.91 AURKA (0.63) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4321138 0.91 AURKA (0.63) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL27691460 0.90 AURKA (0.62) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4312987 0.90 AURKA (0.62) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4312994 0.90 AURKA (0.62) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4327023 0.88 AURKA (0.58) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4327020 0.88 AURKA (0.58) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL4313205 0.87 AURKA (0.74) AURKAAURKBNPC1RAB9AKMT2A

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-2012026511-A1 PHARMACEUTICAL COMPOSITION 協和発酵キリン株式会社 (JP) 2012-03-01 — — WO disclosed
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