SCHEMBL10420993

SCHEMBL10420993

N#Cc1ccccc1COc1ccc(C=Cc2ccc3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.50
CYSLTR2 Q9NS75 6/20 0.46
CYSLTR1 Q9Y271 6/20 0.46
MAPK1 P28482 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.44
FFAR1 O14842 1/20 0.44
GLA P06280 2/20 0.44
PLAU P00749 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42

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
SCHEMBL10422616 0.82 RAB9A (0.56) RAB9AKDM4ENPC1MAPTLMNA
SCHEMBL10422617 0.82 RAB9A (0.56) RAB9AKDM4ENPC1MAPTLMNA
SCHEMBL6585906 0.81 CYSLTR1 (0.62) CYSLTR2CYSLTR1FFAR1PLAU
SCHEMBL10479271 0.79 RAB9A (0.63) RAB9AKDM4ENPC1MAPTLMNA
SCHEMBL28438758 0.77 RAB9A (0.68) RAB9AKDM4ENPC1MAPTLMNA
SCHEMBL28438756 0.77 RAB9A (0.68) RAB9AKDM4ENPC1MAPTLMNA
SCHEMBL16971027 0.76 RAB9A (0.62) RAB9AKDM4ENPC1MAPTLMNA
SCHEMBL10895807 0.76 RAB9A (0.62) RAB9AKDM4ENPC1MAPTLMNA
SCHEMBL5613168 0.76 MAOB (0.54) RAB9AKDM4ENPC1LMNAALDH1A1
SCHEMBL9031944 0.75 CYSLTR1 (0.66) CYSLTR2CYSLTR1FFAR1

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
US-4918081-A Quinoline derivatives and use thereof as antagonists of leukotriene d4 RORER PHARMACEUTICAL CORP. (US) 1990-04-17 US disclosed
WO-1989012629-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed