SCHEMBL22912269

SCHEMBL22912269

Cc1cc(-c2cc(F)c(=O)n(Cc3ccc4scnc4c3)c2)nc(SCCC(OCc2ccccc2F)c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ S1PR1 P21453 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL22912303 0.89 VCP (0.33) VCP
SCHEMBL22912304 0.88 HSD17B10 (0.35) VCP
SCHEMBL19806015 0.87 PFKFB3 (0.31) PFKFB3S1PR1DRD3S1PR3
SCHEMBL29976521 0.87 PFKFB3 (0.31) PFKFB3S1PR1DRD3S1PR3
SCHEMBL21019945 0.86 BRD4 (0.32) VCP
SCHEMBL23897443 0.85 EGFR (0.38) VCP
SCHEMBL19806106 0.85 VCP (0.32) VCP
SCHEMBL19806024 0.84 EGFR (0.35) VCP
SCHEMBL22912255 0.83 VCP (0.33) VCP
SCHEMBL22912294 0.81 VCP (0.33) VCP

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
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