SCHEMBL8364405

SCHEMBL8364405

COc1ccc2[nH]c(=O)cc(CCCl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GFER P55789 1/20 0.51
HPGD P15428 4/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
GHSR Q92847 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL8366356 0.86 CYP2D6 (0.63) KDM4EALDH1A1L3MBTL1GAAPOLB
SCHEMBL9766056 0.81 ALDH1A1 (0.46) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL8366255 0.79 KDM4E (0.67) KDM4EALDH1A1L3MBTL1GAAPOLB
SCHEMBL8369457 0.78 KDM4E (0.59) KDM4EALDH1A1L3MBTL1GAAPOLB
SCHEMBL8369447 0.78 AR (0.51) HPGDMITF
SCHEMBL2798566 0.77 KDM4E (0.75) KDM4EALDH1A1L3MBTL1GAAPOLB
Hydrochloric Acid SCHEMBL8367852 0.77 AR (0.50) HPGDMITF
SCHEMBL8368811 0.75 ALDH1A1 (0.56) KDM4EALDH1A1L3MBTL1GAAPOLB
SCHEMBL8555235 0.75 HTR1D (0.76) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL2267796 0.74 ALDH1A1 (0.66) KDM4EALDH1A1L3MBTL1GAAPOLB

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