SCHEMBL28910501

SCHEMBL28910501

Cc1cc(C2=CN(Cc3ccc4scnc4c3)CC(F)=C2)nc(S(=O)(=O)CCC(OCc2ccccc2F)c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL29976521 0.82 PFKFB3 (0.31) S1PR1S1PR3DRD3
SCHEMBL19806015 0.82 PFKFB3 (0.31) S1PR1S1PR3DRD3
SCHEMBL29975807 0.81 TP53 (0.32) —
SCHEMBL21019752 0.72 — —
SCHEMBL21019833 0.71 — —
SCHEMBL19806104 0.71 SDHB (0.32) —
SCHEMBL29976317 0.71 SDHB (0.32) —
SCHEMBL23503516 0.71 S1PR4 (0.33) S1PR1
SCHEMBL20985654 0.70 SDHB (0.31) —
SCHEMBL19806045 0.70 SLC6A3 (0.31) S1PR1

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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