SCHEMBL9526404

SCHEMBL9526404

NC(O)=S.OC(=S)NCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
ALOX12 P18054 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
TRPV1 Q8NER1 1/20 0.42
CA2 P00918 3/20 0.42
PLA2G1B P04054 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
LMNA P02545 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 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
SCHEMBL1056093 0.83 ALOX12 (0.65) GAAALOX12MEN1MAPTKMT2A
SCHEMBL11495698 0.82 CYP2C9 (0.61) GAAALOX12MEN1MAPTKMT2A
SCHEMBL7409572 0.82 PTPN7 (0.48) GAAALOX12MEN1MAPTKMT2A
SCHEMBL28422492 0.82 ALOX12 (0.63) GAAALOX12MEN1MAPTKMT2A
Methane SCHEMBL9754014 0.82 ALOX12 (0.63) GAAALOX12MEN1MAPTKMT2A
SCHEMBL22444396 0.82 ALOX12 (0.63) GAAALOX12MEN1MAPTKMT2A
SCHEMBL9754125 0.82 ALOX12 (0.63) GAAALOX12MEN1MAPTKMT2A
SCHEMBL14715270 0.78 CA9 (0.56) GAAMAPTALDH1A1CA1CA9
SCHEMBL28943699 0.78 ALOX12 (0.43) GAAALOX12MEN1MAPTKMT2A
SCHEMBL8847588 0.76 ALOX12 (0.74) GAAALOX12MEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515546-A4 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-05-12 EP disclosed
EP-0515546-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed