SCHEMBL22912198

SCHEMBL22912198

COc1ccc(Cn2cc(-c3cc(C)nc(SCCC(C)=O)n3)cc(F)c2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ VCP P55072 2/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ MAPK10 P53779 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ P2RX7 Q99572 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DBH P09172 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL19806017 0.83 SDHB (0.46) ALDH1A1GRK2ROCK2SMN1; SMN2P2RX7
SCHEMBL30526085 0.83 SDHB (0.46) ALDH1A1GRK2ROCK2SMN1; SMN2P2RX7
SCHEMBL23897356 0.80 GRK2 (0.43) ALDH1A1GRK2ROCK2MAPK1KDM4E
SCHEMBL21020624 0.80 GRK2 (0.43) ALDH1A1GRK2ROCK2MAPK1SMN1; SMN2
SCHEMBL19805924 0.80 SMN1; SMN2 (0.37) ALDH1A1VCPGRK2ROCK2MAPK1
SCHEMBL19806020 0.73 SDHB (0.60) MAPK10SMN1; SMN2P2RX7KMT2A
SCHEMBL29976311 0.73 SDHB (0.60) MAPK10SMN1; SMN2P2RX7KMT2A
SCHEMBL22912258 0.71 MAPT (0.41) ALDH1A1MAPK10KDM4ESMN1; SMN2MAPT
SCHEMBL20985662 0.70 SDHB (0.42) ALDH1A1GRK2MAPK10P2RX7MAPT
SCHEMBL19805927 0.68 GRK2 (0.35) ALDH1A1GRK2ROCK2SMN1; SMN2P2RX7

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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