SCHEMBL10677472

SCHEMBL10677472

CCc1[nH]c(=O)c(C)cc1C(=O)c1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ NAPRT Q6XQN6 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10675813 0.85 NAPRT (0.43) KDM4ESMN1; SMN2L3MBTL1CYP1A2MAPT
SCHEMBL10678506 0.85 CYP1A2 (0.39) NPC1RAB9AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL10684504 0.84 CDC7 (0.40) KDM4ESMN1; SMN2L3MBTL1CYP1A2MAPT
SCHEMBL10676194 0.84 ALDH1A1 (0.52) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL10679720 0.82 PDE3B (0.45) KDM4ESMN1; SMN2L3MBTL1CYP1A2MAPT
SCHEMBL10677717 0.80 ALDH1A1 (0.44) RAB9ASMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL10672837 0.79 CCND3 (0.38) NPC1RAB9AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL10681806 0.77 PDE3B (0.55) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL10678457 0.77 LMNA (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL10681162 0.75 ALDH1A1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2MAPT

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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