SCHEMBL8366274

SCHEMBL8366274

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD1 O95696 6/20 0.42
BRPF1 P55201 6/20 0.42
BRD4 O60885 3/20 0.39
HTR6 P50406 1/20 0.38
CASP3 P42574 1/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
HTR1A P08908 4/20 0.37
BRPF3 Q9ULD4 3/20 0.36
BRD9 Q9H8M2 2/20 0.36
MAPT P10636 1/20 0.36
BCL6 P41182 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NQO2 P16083 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8366314 0.86 BRD1 (0.42) BRD1BRPF1BRD4HTR6CASP3
SCHEMBL8366369 0.80 ALDH1A1 (0.44) BRD1BRPF1BRD4HTR6CASP3
SCHEMBL8367875 0.77 BRD4 (0.45) BRD1BRPF1BRD4EGFRSRC
SCHEMBL9159464 0.77 KDM4E (0.56) BRPF1BRD4BRD9MAPTKDM4E
SCHEMBL26090101 0.77 BRPF1 (0.63) BRD1BRPF1BRD4CASP3EGFR
SCHEMBL30379731 0.77 BRPF1 (0.63) BRD1BRPF1BRD4CASP3EGFR
SCHEMBL23609754 0.76 KDM4E (0.47) BRD1BRPF1BRD4CASP3EGFR
SCHEMBL21830597 0.76 BRD1 (0.46) BRD1BRPF1BRD4CASP3EGFR
SCHEMBL29858321 0.72 EGFR (0.46) BRD1BRPF1CASP3EGFRSRC
SCHEMBL6363289 0.72 EGFR (0.46) BRD1BRPF1CASP3EGFRSRC

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 4 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
EP-0850235-A1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SYNTHELABO (FR) 1998-07-01 EP disclosed
WO-1997010238-A1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SYNTHELABO (FR) 1997-03-20 WO disclosed