SCHEMBL9757039

SCHEMBL9757039

C=C(c1cccc(OCc2ccc3nc(C#N)oc3c2)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.46
PSMB5 P28074 1/20 0.46
NR4A2 P43354 2/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
F2 P00734 2/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
SMPD1 P17405 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
APP P05067 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL9756982 0.82 FFAR1 (0.39) NR4A2MAOAMAOBFFAR1PPARD
SCHEMBL9757043 0.79 CYSLTR1 (0.50) PSMB8PSMB5MAOAMAOBCYSLTR2
SCHEMBL9757046 0.79 CYSLTR1 (0.50) PSMB8PSMB5MAOAMAOBCYSLTR2
SCHEMBL9757132 0.76 FFAR1 (0.43) NR4A2MAOAMAOBFFAR1PPARD
SCHEMBL9757153 0.73 GPBAR1 (0.52) CYSLTR2CYSLTR1
SCHEMBL9757283 0.72 CYSLTR1 (0.38) F2CYSLTR2CYSLTR1
SCHEMBL9757175 0.72 TEC (0.37) NR4A2MAOAMAOBFFAR1PPARD
SCHEMBL9757151 0.71 NR4A2 (0.43) NR4A2MAOAMAOBSMPD1CYSLTR2
SCHEMBL9757164 0.70 NR4A2 (0.33) NR4A2MAOAMAOBFFAR1PPARD
SCHEMBL9760316 0.69 CYSLTR1 (0.54) FFAR1CYSLTR2CYSLTR1

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
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed