SCHEMBL22912246

SCHEMBL22912246

CCc1ccc(CN2C=C(c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)C=CC2)cc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 17/20 0.43
▸ NPSR1 Q6W5P4 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ TP53 P04637 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ STAT3 P40763 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ STAT1 P42224 2/20 0.43
▸ TLR9 Q9NR96 2/20 0.43
▸ S1PR4 O95977 2/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL28307457 0.88 SDHB (0.56) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL28306295 0.87 SDHB (0.47) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL28307441 0.87 SDHB (0.56) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL28307462 0.85 SDHB (0.59) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL19805651 0.85 SDHB (0.42) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL30526106 0.85 SDHB (0.59) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL28306261 0.85 SDHB (0.58) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL19805836 0.84 SDHB (0.59) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL28875024 0.84 SDHB (0.59) SDHBNPSR1RAB9ATP53HPGD
SCHEMBL28306389 0.84 SDHB (0.49) SDHBNPSR1RAB9ATP53HPGD

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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