SCHEMBL25706604

SCHEMBL25706604

COc1ccc(CNc2nccc3c2c(C)nn3C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
CHRM4 P08173 1/20 0.48
NPC1 O15118 3/20 0.46
CACNA2D1 P54289 1/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KDR P35968 1/20 0.44
CLK4 Q9HAZ1 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CLK1 P49759 1/20 0.43

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
SCHEMBL25243808 0.87 CDK1 (0.46) THRBCHRM4NPC1GAAMAPT
SCHEMBL30566199 0.87 CDK1 (0.46) THRBCHRM4NPC1GAAMAPT
SCHEMBL25804261 0.86 THRB (0.48) THRBCHRM4NPC1CACNA2D1TP53
SCHEMBL30446331 0.77 CDK1 (0.46) THRBCHRM4NPC1GAAMAPT
SCHEMBL25273214 0.77 CDK1 (0.46) THRBCHRM4NPC1GAAMAPT
SCHEMBL25283284 0.75 CDK1 (0.49) THRBNPC1TP53LMNACLK4
SCHEMBL30566240 0.75 CDK1 (0.49) THRBNPC1TP53LMNACLK4
SCHEMBL25804253 0.75 THRB (0.52) THRBCHRM4NPC1CACNA2D1MAPT
SCHEMBL19961228 0.72 CCNE2 (0.47) THRBCHRM4NPC1GAAMAPT
SCHEMBL13201559 0.72 TP53 (0.47) THRBNPC1GAAMAPTTP53

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-2023115142-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed