SCHEMBL9757231

SCHEMBL9757231

C(=Cc1ccc2ccccc2n1)c1ccc(OCc2ccc3nc(-c4nnn[nH]4)oc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYSLTR2 Q9NS75 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
PKM P14618 1/20 0.38
GLA P06280 2/20 0.37
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL9757010 0.93 RAB9A (0.40) RAB9AKDM4ENPC1LMNAMEN1
SCHEMBL9757288 0.92 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL9757240 0.90 TEC (0.38) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL9757187 0.90 TEC (0.38) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL9757114 0.86 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL9756990 0.86 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL9756995 0.83 CYSLTR1 (0.47) CYSLTR2CYSLTR1
SCHEMBL9756989 0.83 CYSLTR1 (0.47) CYSLTR2CYSLTR1
SCHEMBL9757125 0.80 CYSLTR1 (0.51) CYSLTR2CYSLTR1
SCHEMBL9757222 0.80 CYSLTR1 (0.35) CYSLTR2CYSLTR1

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 1 patent. 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