SCHEMBL24899846

SCHEMBL24899846

COc1c(N)cccc1-c1ccc(P(=O)(C2CC2)C2CC2)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 9/20 0.34
▸ FEN1 P39748 9/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ TYK2 P29597 6/20 0.33
▸ FYN P06241 1/20 0.32
▸ NOS2 P35228 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ ACVR1 Q04771 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
SCHEMBL30050566 0.74 PIM1 (0.33) TYK2
SCHEMBL26983719 0.74 PIM1 (0.33) TYK2
SCHEMBL24498490 0.74 ALOX5AP (0.43) ALOX5APFEN1TYK2FYN
SCHEMBL29740023 0.72 KDM1A (0.43) ALOX5APFEN1KDM1AFYNTGFBR1
SCHEMBL23925790 0.72 KDM1A (0.43) ALOX5APFEN1KDM1AFYNTGFBR1
SCHEMBL26983750 0.72 ALDH1A1 (0.32) —
SCHEMBL30780279 0.72 PARP1 (0.31) —
SCHEMBL26983732 0.71 KDM4E (0.31) —
SCHEMBL24899855 0.71 FYN (0.44) ALOX5APFEN1TYK2FYNTGFBR1
SCHEMBL30392527 0.71 KDM1A (0.43) ALOX5APFEN1KDM1AFYN

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-2023284869-A1 SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 — — WO disclosed
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