SCHEMBL8893258

SCHEMBL8893258

CCOc1ccc(CC(=O)NC(C)c2nccs2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNB1 Q14721 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 2/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
MAPT P10636 1/20 0.35
KCNA5 P22460 1/20 0.34

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
SCHEMBL8891930 0.93 ALDH1A1 (0.40) ALDH1A1POLBLMNASMN1; SMN2MAPK1
SCHEMBL8890655 0.92 LMNA (0.46) ALDH1A1POLBLMNASMN1; SMN2MAPK1
SCHEMBL8891702 0.91 ALDH1A1 (0.48) ALDH1A1POLBLMNASMN1; SMN2MAPK1
SCHEMBL8890927 0.91 ALDH1A1 (0.46) ALDH1A1POLBLMNASMN1; SMN2MAPK1
SCHEMBL8890057 0.88 NPC1 (0.37) ALDH1A1POLBLMNASMN1; SMN2MAPK1
SCHEMBL8893286 0.86 ALDH1A1 (0.40) ALDH1A1POLBLMNASMN1; SMN2MAPK1
SCHEMBL8892423 0.85 NPC1 (0.35) ALDH1A1POLBLMNASMN1; SMN2MAPK1
SCHEMBL8890853 0.85 L3MBTL1 (0.41) ALDH1A1POLBLMNAABCC9ABCC8
SCHEMBL8891396 0.85 ALDH1A1 (0.46) ALDH1A1ABCC9ABCC8KCNJ11KMT2A
SCHEMBL8893099 0.85 POLB (0.41) ALDH1A1POLBLMNASMN1; SMN2MAPK1

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