SCHEMBL28307428

SCHEMBL28307428

COc1ccc(CN2C=C(c3cc(C(F)F)nc([S+]([O-])CCC(Cc4ccccc4F)c4ccccc4)n3)C=CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL28910483 0.81 SDHB (0.38) —
SCHEMBL28307468 0.81 PDE2A (0.32) —
SCHEMBL28306340 0.76 TP53 (0.37) SIGMAR1
SCHEMBL28306396 0.74 ALDH1A1 (0.34) —
SCHEMBL28306288 0.74 — —
SCHEMBL28307440 0.73 MAPT (0.33) —
SCHEMBL20985672 0.71 SDHB (0.37) DRD4SIGMAR1
SCHEMBL30526073 0.71 SDHB (0.37) DRD4SIGMAR1
SCHEMBL23897426 0.70 SDHB (0.37) —
SCHEMBL28910522 0.69 KDM4E (0.34) —

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-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 — — CN disclosed
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