SCHEMBL10679859

SCHEMBL10679859

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRK1 P41145 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ADCY8 P40145 1/20 0.39
▸ ADCY1 Q08828 1/20 0.39

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
SCHEMBL10676766 0.86 CDC7 (0.42) CTNNB1WNT3ARAB9AKDM4EMAPK1
SCHEMBL10675049 0.86 KMT2A (0.43) CTNNB1WNT3ARAB9AKDM4EMAPK1
SCHEMBL10681828 0.85 CDC7 (0.47) CTNNB1WNT3ARAB9AKDM4EMAPK1
SCHEMBL10680545 0.84 ALDH1A1 (0.50) KDM4EMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7384310 0.83 PDE3B (0.52) RAB9AKDM4EALDH1A1KMT2AHPGD
SCHEMBL10680104 0.80 KMT2A (0.44) CTNNB1WNT3ARAB9AKDM4EMAPK1
SCHEMBL10681806 0.77 PDE3B (0.55) KDM4EMAPK1ALDH1A1KMT2AHPGD
SCHEMBL7440629 0.76 PDE3B (0.59) ALDH1A1KMT2ACES2CES1
SCHEMBL10677717 0.75 ALDH1A1 (0.44) RAB9ASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL10677472 0.74 NPC1 (0.38) RAB9AKDM4ESMN1; SMN2ALDH1A1HPGD

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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