SCHEMBL25738394

SCHEMBL25738394

CCCSCCSc1ccc(O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 10/20 0.43
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ EP300 Q09472 3/20 0.36
▸ KAT2B Q92831 2/20 0.36
▸ KAT8 Q9H7Z6 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ USP2 O75604 1/20 0.33

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
SCHEMBL25934912 0.90 IDO1 (0.43) IDO1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL647859 0.85 PTGS2 (0.46) IDO1PTGS2EP300KAT2BKAT8
SCHEMBL16664180 0.83 PTGS2 (0.47) IDO1PTGS2EP300
SCHEMBL9400369 0.82 PTGS2 (0.48) IDO1PTGS2EP300
SCHEMBL19245741 0.82 PTGS2 (0.48) IDO1PTGS2EP300
SCHEMBL1057913 0.80 IDO1 (0.52) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL19245462 0.80 PTGS2 (0.43) IDO1PTGS2EP300KAT2BKAT8
SCHEMBL25738396 0.78 PTGS2 (0.32) PTGS2
SCHEMBL11304190 0.72 IDO1 (0.46) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL25738395 0.72 MEN1 (0.36) IDO1CYP2C9PTGS2MEN1KMT2A

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
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 — — US disclosed
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