SCHEMBL20096569

SCHEMBL20096569

N#Cc1cc2nc(Br)[nH]c2cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.41
TRPA1 O75762 1/20 0.39
AR P10275 8/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1C Q13936 1/20 0.37
CSNK1D P48730 1/20 0.34
CSNK1G2 P78368 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 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
SCHEMBL20096687 0.82 CACNA1H (0.41) CACNA1HTRPA1ARCACNA1GCACNA1C
SCHEMBL1635569 0.76 AR (0.40) CACNA1HTRPA1AR
SCHEMBL1260022 0.76 CACNA1H (0.37) CACNA1HTRPA1AR
SCHEMBL1636993 0.72 MCHR1 (0.36) CACNA1HTRPA1ARCACNA1GCACNA1C
SCHEMBL1636643 0.72 AR (0.56) CACNA1HTRPA1AR
SCHEMBL29935405 0.71 KDM4E (0.54) TRPA1ARCSNK1DCSNK1G2DGAT1
SCHEMBL1636551 0.71 AR (0.44) AR
SCHEMBL4755911 0.71 AR (0.40) CACNA1HTRPA1AR
SCHEMBL2148589 0.70 AR (0.48) CACNA1HAR
Lithium SCHEMBL31238632 0.70 KDM4E (0.53) TRPA1ARCSNK1DCSNK1G2DGAT1

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
WO-2018075959-A1 METHODS USING HDAC11 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2018-04-26 WO disclosed