SCHEMBL4436602

SCHEMBL4436602

Cc1cc(F)c(F)c(F)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL24744660 0.86 TRPV4 (0.41) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL16122693 0.83 KDM4E (0.43) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3191466 0.82 TRPV4 (0.46) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL289995 0.82 TRPV4 (0.41) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL809217 0.78 TRPV4 (0.52) TRPV4STAT3
SCHEMBL29728453 0.78 TRPV4 (0.52) TRPV4STAT3
SCHEMBL16122308 0.77 TRPV4 (0.46) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL313724 0.77 RAPGEF4 (0.31)
SCHEMBL7866631 0.74 TRPV4 (0.45) TRPV4ALDH1A1STAT3
SCHEMBL25786493 0.74 ALDH1A1 (0.36) KDM4EALDH1A1MAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125931-A1 VINYL ENDS MEASURING METHOD Eastman Chemical Company (US) 2009-12-02 EP claimed
WO-2008097416-A1 VINYL ENDS MEASURING METHOD EASTMAN CHEMICAL COMPANY (US) 2008-08-14 WO claimed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
EP-2125931-A1 VINYL ENDS MEASURING METHOD Eastman Chemical Company (US) 2009-12-02 EP disclosed
WO-2008097416-A1 VINYL ENDS MEASURING METHOD EASTMAN CHEMICAL COMPANY (US) 2008-08-14 WO disclosed