SCHEMBL11527258

SCHEMBL11527258

CCOC(=O)c1c([S+](N)[O-])c2cc(Cl)ccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ELANE P08246 2/20 0.43
MAOB P27338 1/20 0.43
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
CHRNA7 P36544 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL11535223 0.89 ALDH1A1 (0.48) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11530482 0.88 MAPT (0.51) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5791184 0.82 ALDH1A1 (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8688754 0.81 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8687719 0.79 ALDH1A1 (0.51) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8687098 0.79 ALDH1A1 (0.51) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11533785 0.79 MAPT (0.48) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11532944 0.78 ALDH1A1 (0.51) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7387558 0.76 ALDH1A1 (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7414503 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10

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-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 US disclosed