SCHEMBL11041547

SCHEMBL11041547

N#Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
AR P10275 3/20 0.39
MERTK Q12866 1/20 0.39
KMT2A Q03164 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38

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
SCHEMBL11431348 0.91 KIF11 (0.46) KIF11ARMERTKKMT2AMRGPRX4
SCHEMBL11039112 0.90 KIF11 (0.47) KIF11ARKMT2AKDM4ELMNA
SCHEMBL4493473 0.81 TLR7 (0.39) TLR7NPBWR1MCHR1TLR8
SCHEMBL4493478 0.81 NPBWR1 (0.46) ARKMT2AGABRPGABRDGABRA1
SCHEMBL3104195 0.81 TLR7 (0.39) TLR7NPBWR1MCHR1TLR8L3MBTL1
SCHEMBL9582221 0.81 MAOB (0.41) KIF11KMT2ATLR7NPBWR1MCHR1
SCHEMBL9048157 0.81 AR (0.33) ARMRGPRX4TLR7NPBWR1MCHR1
SCHEMBL9847110 0.81 AR (0.43) AR
SCHEMBL921021 0.77 FFAR1 (0.54) KIF11ARMERTKKMT2AMRGPRX4
SCHEMBL9711446 0.77 TRPV4 (0.35) ARMRGPRX4SCN9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034402-B1 METHOD OF PREPARING FLUORINE-SUBSTITUTED DIPHENYL ETHER DERIVATIVES AND FLUORINE-SUBSTITUTED HALOGENO BENZENE DERIVATIVES FOR USE THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-29 EP disclosed
US-4384135-A REACTING A SUBSTITUTED BENZOTRIFLUORIDE WITH A SUBSTITUTED PHENOL IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-17 US disclosed
EP-0034402-A2 Method of preparing fluorine-substituted diphenyl ether derivatives and fluorine-substituted halogeno benzene derivatives for use therein IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 EP disclosed