SCHEMBL9756946

SCHEMBL9756946

C=C(c1cccc(OC(C)=O)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 3/20 0.45
▸ CYSLTR1 Q9Y271 3/20 0.45
▸ CNR2 P34972 2/20 0.44
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL4957637 0.81 MAPT (0.44) CYSLTR1CNR2LMNAMEN1KMT2A
SCHEMBL3228023 0.80 CNR2 (0.43) CNR2LMNAMEN1KMT2ANPC1
SCHEMBL9757049 0.77 NR4A2 (0.41) CYSLTR2CYSLTR1CNR2LMNAMEN1
SCHEMBL3809767 0.76 CYSLTR1 (0.41) CYSLTR2CYSLTR1CNR2LMNAMAPT
SCHEMBL9335553 0.76 UNG (0.41) CYSLTR2CYSLTR1CNR2LMNAMEN1
SCHEMBL9339015 0.75 CBLB (0.41) CYSLTR2CYSLTR1CNR2NR4A2CBLB
SCHEMBL9335423 0.74 PRSS1 (0.38) CYSLTR2CYSLTR1CNR2NPC1RAB9A
SCHEMBL2050999 0.74 MEN1 (0.39) CYSLTR2CYSLTR1CNR2CYP3A4MEN1
SCHEMBL718960 0.72 LMNA (0.54) LMNACYP3A4MEN1KMT2ANPC1
SCHEMBL9756948 0.72 CYSLTR1 (0.69) CYSLTR2CYSLTR1LMNAMEN1KMT2A

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
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