SCHEMBL27814902

SCHEMBL27814902

FC(F)(F)Oc1cc(CCBr)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
KDM4A O75164 2/20 0.40
KDM5A P29375 2/20 0.40
NOTUM Q6P988 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
KCNN4 O15554 1/20 0.39
PDE3A Q14432 1/20 0.36
PGK1 P00558 1/20 0.36
IDO1 P14902 2/20 0.35
KCNH2 Q12809 3/20 0.34
TMEM97 Q5BJF2 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
PNMT P11086 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL934710 0.86 EPHX1 (0.44) EPHX1KDM4AKDM5ANOTUMTRPV1
SCHEMBL8225538 0.83 PGK1 (0.46) EPHX1KDM4AKDM5ANOTUMTRPV1
SCHEMBL27962418 0.81 KCNH2 (0.43) KCNN4KCNH2TMEM97SIGMAR1
SCHEMBL9824390 0.81 EPHX1 (0.45) EPHX1KDM4AKDM5ANOTUMTRPV1
SCHEMBL8185415 0.79 EPHX1 (0.44) EPHX1KDM4AKDM5ANOTUMTRPV1
SCHEMBL4374816 0.79 CSNK2A1 (0.47) EPHX1KDM4AKDM5ANOTUMKCNN4
SCHEMBL30176060 0.79 CSNK2A1 (0.47) EPHX1KDM4AKDM5ANOTUMKCNN4
SCHEMBL2240142 0.79 NOTUM (0.51) EPHX1KDM4AKDM5ANOTUMTRPV1
SCHEMBL3754799 0.79 EPHX1 (0.44) EPHX1KDM4AKDM5ANOTUMTRPV1
SCHEMBL8926703 0.78 EPHX2 (0.44) KCNH2TMEM97SIGMAR1

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
CN-101801972-A Pyrazolo [1,5-A]pyrimidines as inhibitors of stearoyl-coA desaturase INOVACIA AB 2010-08-11 CN disclosed