SCHEMBL27831995

SCHEMBL27831995

Cc1c(C(F)(F)F)ccc(O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CSNK2A1 P68400 1/20 0.36
NOTUM Q6P988 1/20 0.35
TMPRSS4 Q9NRS4 3/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KIF11 P52732 1/20 0.32
POLB P06746 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
AR P10275 2/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MEN1 O00255 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
SCHEMBL10437219 0.77 TMPRSS4 (0.36) HTTALDH1A1CSNK2A1TMPRSS4ESR1
SCHEMBL5733013 0.77 CYP11B1 (0.35) HTTNOTUMSMN1; SMN2LMNAKIF11
SCHEMBL25077559 0.74 ESR2 (0.44) HTTKDM4EALDH1A1GAACSNK2A1
SCHEMBL13199169 0.74 AR (0.38) GAANOTUMKIF11POLBTAS2R14
SCHEMBL31235049 0.72 KIF11 (0.37) CSNK2A1NOTUMTMPRSS4ESR1ESR2
SCHEMBL2878061 0.71 NOTUM (0.38) HTTNOTUMSMN1; SMN2LMNATAS2R14
SCHEMBL7524173 0.71 KDM4E (0.39) HTTKDM4EALDH1A1GAACSNK2A1
SCHEMBL6785116 0.71 TRPA1 (0.37) TMPRSS4KIF11TRPA1ATMAR
SCHEMBL23226966 0.71 TMPRSS4 (0.41) CSNK2A1TMPRSS4KIF11TRPA1ATM
SCHEMBL27511112 0.71 APP (0.36) HTTKDM4EALDH1A1GAACSNK2A1

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
CN-102093230-B Type I forked biphenyl diamine and preparation method and application thereof CHENGDU JINJIANG NEW HIGH MATERIAL CO LTD 2013-06-12 CN disclosed
CN-102093230-A Type I forked biphenyl diamine and preparation method and application thereof CHENGDU JINJIANG NEW HIGH MATERIAL CO LTD 2011-06-15 CN disclosed