SCHEMBL10676766

SCHEMBL10676766

CCc1[nH]c(=O)c(N)cc1C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ CTNNB1 P35222 2/20 0.39
▸ WNT3A P56704 2/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL10681828 0.86 CDC7 (0.47) CDC7RAB9AKMT2ACTNNB1WNT3A
SCHEMBL10679859 0.86 CTNNB1 (0.43) RAB9AKMT2ACTNNB1WNT3AKDM4E
SCHEMBL10675049 0.85 KMT2A (0.43) CDC7RAB9AKMT2ACTNNB1WNT3A
SCHEMBL7384310 0.82 PDE3B (0.52) RAB9AKMT2AKDM4EOPRK1GAA
SCHEMBL10680545 0.81 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDTSHR
SCHEMBL10680104 0.79 KMT2A (0.44) CDC7RAB9AKMT2ACTNNB1WNT3A
SCHEMBL10683120 0.78 PDE3B (0.53) CDC7KMT2AKDM4EALDH1A1HPGD
SCHEMBL10675823 0.75 CDC7 (0.38) CDC7RAB9AKMT2AGAAALDH1A1
SCHEMBL7440629 0.75 PDE3B (0.59) KMT2AALDH1A1CES2CES1
SCHEMBL10678506 0.74 CYP1A2 (0.39) CDC7RAB9AKDM4ETSHRSMN1; SMN2

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
US-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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