SCHEMBL30809497

SCHEMBL30809497

O=C(O)c1cnn2cc(-c3cccc(OCCF)n3)sc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CES1 P23141 1/20 0.31
NPC1 O15118 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL30809477 0.87 HPGD (0.41) TGFBR1NPC1
SCHEMBL30809480 0.87 HPGD (0.41) TGFBR1NPC1
SCHEMBL24579118 0.77 TGFBR1 (0.34) TGFBR1FFAR4IRAK4
SCHEMBL30566541 0.77 TGFBR1 (0.34) TGFBR1FFAR4IRAK4
SCHEMBL29760144 0.74 TGFBR1 (0.43) TGFBR1
SCHEMBL30809555 0.73 MAPT (0.43) TGFBR1NPC1
SCHEMBL24579116 0.71
SCHEMBL30809544 0.68 MAPT (0.44) TGFBR1NPC1
SCHEMBL30690824 0.68 MAPT (0.34)
SCHEMBL24577867 0.67 KDM4E (0.31) NPC1

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-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed