SCHEMBL10996368

SCHEMBL10996368

COC(=O)c1cc(N)c(-c2ccc(C)cc2)c(S(=O)(=O)/N=C/N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP2C9 P11712 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ GLA P06280 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL10996371 1.00 GAA (0.43) GAALMNAALDH1A1HPGDMAPT
SCHEMBL574219 0.90 HPGD (0.45) GAAALDH1A1HPGDMAPTKDM4E
SCHEMBL574218 0.90 HPGD (0.45) GAAALDH1A1HPGDMAPTKDM4E
SCHEMBL11197357 0.85 KDM4E (0.37) GAALMNAALDH1A1HPGDMAPT
SCHEMBL21436402 0.85 KDM4E (0.37) GAALMNAALDH1A1HPGDMAPT
SCHEMBL11000446 0.84 VCAM1 (0.44) GAALMNAALDH1A1HPGDMAPT
SCHEMBL11000444 0.84 VCAM1 (0.44) GAALMNAALDH1A1HPGDMAPT
SCHEMBL11004620 0.83 GAA (0.41) GAALMNAALDH1A1HPGDMAPT
SCHEMBL10998937 0.83 GAA (0.41) GAALMNAALDH1A1HPGDMAPT
SCHEMBL11512796 0.82 ALDH1A1 (0.49) GAALMNAALDH1A1HPGDMAPT

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
US-4492710-A Substituted pyrrolidinyl-benzoic acid derivatives and a process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-08 — — US disclosed
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