SCHEMBL8366369

SCHEMBL8366369

Cn1c(=O)cc(CC(=O)O)c2cc(C#N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
BRD1 O95696 5/20 0.44
BRPF1 P55201 5/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
KMO O15229 1/20 0.43
BRD4 O60885 3/20 0.42
HTR6 P50406 1/20 0.40
DUSP3 P51452 1/20 0.38
BCL6 P41182 2/20 0.38
BRPF3 Q9ULD4 3/20 0.38
BRD9 Q9H8M2 2/20 0.38
PLA2G4A P47712 1/20 0.37
LTB4R Q15722 1/20 0.37
CASP3 P42574 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL8367875 0.86 BRD4 (0.45) ALDH1A1MAPTKDM4EHPGDBRD1
SCHEMBL8366314 0.83 BRD1 (0.42) MAPTHSD17B10BRD1BRPF1EGFR
SCHEMBL9766045 0.81 MEN1 (0.51) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8366274 0.80 BRD1 (0.42) MAPTKDM4EBRD1BRPF1EGFR
SCHEMBL8457832 0.80 KDM4E (0.48) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8364439 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8367148 0.80 AKR1C3 (0.49) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL23609754 0.77 KDM4E (0.47) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL9157244 0.77 KDM4E (0.56) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8366206 0.77 KDM4E (0.55) ALDH1A1MAPTKDM4EHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed
US-5958924-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS SYNTHELABO (FR) 1999-09-28 US disclosed