SCHEMBL9620749

SCHEMBL9620749

COC(=O)c1ccc(C(=S)Nc2ccccc2OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.74
ALDH1A1 P00352 3/20 0.74
HTT P42858 1/20 0.74
KMT2A Q03164 2/20 0.60
GAA P10253 3/20 0.59
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL9620979 0.84 ALDH1A1 (0.79) HPGDALDH1A1HTTKMT2AGAA
SCHEMBL9620767 0.84 MLYCD (0.69) HPGDALDH1A1KMT2AGAAPOLB
SCHEMBL9620880 0.84 ALDH1A1 (0.79) HPGDALDH1A1HTTKMT2AGAA
SCHEMBL8002218 0.79 HPGD (0.70) HPGDALDH1A1HTTKMT2AGAA
SCHEMBL31388324 0.78 HPGD (0.80) HPGDALDH1A1HTTKMT2AGAA
SCHEMBL3822985 0.78 HPGD (0.80) HPGDALDH1A1HTTKMT2AGAA
SCHEMBL15761720 0.75 CA1 (0.60) HPGDALDH1A1KMT2APOLBNPSR1
SCHEMBL4554983 0.75 POLB (0.77) HPGDALDH1A1HTTKMT2AGAA
SCHEMBL31040567 0.75 POLB (0.77) HPGDALDH1A1HTTKMT2AGAA
SCHEMBL6850954 0.75 ALDH1A1 (0.71) ALDH1A1HTTKMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306708-B1 NOVEL BENZOTHIAZOLE AND ANTIRHEUMATIC AGENT COMPRISING IT AS AN ACTIVE INGREDIENT KANEBO, LTD. (JP) 1992-01-08 EP disclosed
US-4910211-A Containing a phenyl substituted in position 2 and an ester in position 4 KANEBO LTD. (JP) 1990-03-20 US disclosed
EP-0306708-A1 Novel benzothiazole and antirheumatic agent comprising it as an active ingredient KANEBO, LTD. (JP) 1989-03-15 EP disclosed