SCHEMBL15745657

SCHEMBL15745657

Cc1cc(C(c2cc(C)c(N)c(C(C)(O)C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
AR P10275 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 2/20 0.32
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL15745656 0.88 POLB (0.39) POLBARSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL15746912 0.84 SMN1; SMN2 (0.46) POLBARSMN1; SMN2ALDH1A1ESR1
SCHEMBL15745647 0.82 ALDH1A1 (0.46) POLBARSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL9154318 0.79 POLB (0.52) POLBSMN1; SMN2ALDH1A1ESR1ESR2
SCHEMBL15745652 0.78 AR (0.34) POLBARSMN1; SMN2ALDH1A1ESR1
SCHEMBL15745650 0.78 AR (0.34) POLBARSMN1; SMN2ALDH1A1
SCHEMBL15745648 0.78 SMN1; SMN2 (0.34) POLBARSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL1816541 0.77 POLB (0.52) POLBARSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL15831659 0.77 ESR1 (0.39) ARHSD11B1ESR1ESR2TSHR
SCHEMBL15745649 0.77 ABCC9 (0.37) POLBARSMN1; SMN2HSD11B1KDM4E

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