SCHEMBL8893099

SCHEMBL8893099

CCCOc1ccc(CC(=O)NC(C)c2nccs2)cc1S(=O)(=O)NC(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNB1 Q14721 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTPRB P23467 2/20 0.36
TBXA2R P21731 2/20 0.35
CTSA P10619 1/20 0.35
PKM P14618 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
BMPR1B O00238 1/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
GAK O14976 1/20 0.35
EPHB6 O15197 1/20 0.35
RIPK2 O43353 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
SCHEMBL8891702 0.93 ALDH1A1 (0.48) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8891930 0.92 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8892236 0.91 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8894142 0.91 LMNA (0.48) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8892364 0.86 KEAP1 (0.38) POLBALDH1A1TBXA2RKEAP1NFE2L2
SCHEMBL8893264 0.86 NPC1 (0.38) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8890314 0.85 L3MBTL1 (0.41) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL8893258 0.85 ALDH1A1 (0.47) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8892041 0.84 ALDH1A1 (0.48) POLBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8892376 0.83 NPC1 (0.36) POLBALDH1A1SMN1; SMN2LMNAMAPK1

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-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed