SCHEMBL29976113

SCHEMBL29976113

Cc1cc(-c2cc(F)c(=O)n(Cc3cccc4c3OCO4)c2)nc(S(=O)(=O)CCC(Cc2ccccc2F)c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 3/20 0.34
▸ TP53 P04637 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ MAP3K5 Q99683 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
SCHEMBL28910485 1.00 GNRHR (0.34) GNRHRTP53PDE2AMAP3K5
SCHEMBL30526072 0.89 GNRHR (0.33) GNRHRTP53PDE2A
SCHEMBL29976245 0.89 GNRHR (0.37) GNRHRTP53
SCHEMBL28910497 0.89 GNRHR (0.37) GNRHRTP53
SCHEMBL29976060 0.80 SDHB (0.33) GNRHR
SCHEMBL28910490 0.80 SDHB (0.33) GNRHR
SCHEMBL23897425 0.80 ALDH1A1 (0.34) GNRHRTP53
SCHEMBL29975854 0.79 TGFBR1 (0.33) —
SCHEMBL28910503 0.79 TGFBR1 (0.33) —
SCHEMBL28910492 0.79 — —

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
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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