SCHEMBL28910483

SCHEMBL28910483

COc1ccc(Cn2cc(-c3cc(C(F)F)nc([S+]([O-])CCC(Cc4ccccc4F)c4ccccc4)n3)ccc2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 11/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ GRK2 P25098 1/20 0.34
▸ P2RX7 Q99572 3/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CACNA1H O95180 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
SCHEMBL30526073 0.89 SDHB (0.37) SDHBMKNK1MKNK2GRK2P2RX7
SCHEMBL20985672 0.89 SDHB (0.37) SDHBMKNK1MKNK2GRK2P2RX7
SCHEMBL23897426 0.89 SDHB (0.37) SDHBMKNK1MKNK2GRK2P2RX7
SCHEMBL20985699 0.84 SDHB (0.36) SDHBGRK2P2RX7ROCK2
SCHEMBL20985623 0.82 SDHB (0.46) SDHBGRK2ROCK2
SCHEMBL29976336 0.82 SDHB (0.46) SDHBGRK2ROCK2
SCHEMBL28307428 0.81 DRD4 (0.30) —
SCHEMBL20985723 0.80 SDHB (0.45) SDHB
SCHEMBL20985670 0.77 SDHB (0.48) SDHBROCK2
SCHEMBL20985681 0.75 SDHB (0.54) SDHB

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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