SCHEMBL19636764

SCHEMBL19636764

C=C(SC)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
PTPN1 P18031 1/20 0.35
KCNH2 Q12809 3/20 0.34
SLC6A3 Q01959 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MLYCD O95822 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
PDE10A Q9Y233 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CNR2 P34972 1/20 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
SCHEMBL21450889 0.83 TRPV4 (0.42) TRPV4PTPN1KCNH2SLC6A3TAAR1
SCHEMBL1473684 0.80 TRPV4 (0.48) TRPV4PTPN1KCNH2SLC6A3TAAR1
SCHEMBL14206340 0.77 TRPV4 (0.48) TRPV4KCNH2SLC6A3TAAR1MLYCD
SCHEMBL19615943 0.77 TRPV4 (0.48) TRPV4KCNH2SLC6A3TAAR1MLYCD
SCHEMBL29456932 0.73 TRPV4 (0.48) TRPV4PTPN1KCNH2MLYCDTRPV1
SCHEMBL934659 0.73 TRPV4 (0.48) TRPV4PTPN1KCNH2MLYCDTRPV1
SCHEMBL19615526 0.73 TRPV4 (0.48) TRPV4PTPN1KCNH2SLC6A3TAAR1
SCHEMBL3656678 0.72 TRPV4 (0.44) TRPV4KCNH2SLC6A3TAAR1MLYCD
SCHEMBL3872507 0.72 TRPV4 (0.44) TRPV4KCNH2SLC6A3TAAR1PIK3CA
SCHEMBL6140597 0.72 TRPV4 (0.52) TRPV4KCNH2SLC6A3TAAR1MLYCD

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-2017198812-A2 PROCESS FOR THE MANUFACTURE OF 2-SUBSTITUTED-5-(1-METHYLTHIO)ALKYLPYRIDINES SOLVAY SA (BE) 2017-11-23 WO disclosed