SCHEMBL15745674

SCHEMBL15745674

Cc1cc(N)c(C(C)(O)C(F)(F)F)cc1Cc1cc(C(C)(O)C(F)(F)F)c(N)cc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HIF1A Q16665 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP7 P55210 1/20 0.36
AR P10275 3/20 0.34
HSPA5 P11021 1/20 0.32
CFTR P13569 2/20 0.32

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
SCHEMBL15764639 0.85 SMN1; SMN2 (0.53) ALDH1A1HIF1AHSD17B10CYP2C9CYP2C19
SCHEMBL15957675 0.84 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2ARCFTR
SCHEMBL15745670 0.83 CFTR (0.35) SMN1; SMN2ARCFTR
SCHEMBL15745678 0.82 AR (0.36) SMN1; SMN2AR
SCHEMBL15745672 0.82 CFTR (0.33) ALDH1A1HIF1AHSD17B10SMN1; SMN2CYP1A2
SCHEMBL15745667 0.82 AR (0.35) SMN1; SMN2ARHSPA5CFTR
SCHEMBL15745676 0.82 SMN1; SMN2 (0.33) SMN1; SMN2ARCFTR
SCHEMBL15745673 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2ARCFTR
SCHEMBL10002089 0.80 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2ARCFTR
SCHEMBL15745663 0.80 AR (0.35) SMN1; SMN2AR

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-9793483-B2 Hexafluoroisopropanol group-containing diamine, polyimide and polyamide using same, cyclized product thereof, and method for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20140148571-A1 Hexafluoroisopropanol Group-Containing Diamine, Polyimide And Polyamide Using Same, Cyclized Product Thereof, And Method For Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-29 US disclosed