SCHEMBL9620979

SCHEMBL9620979

COc1ccccc1NC(=S)c1ccc(C)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
HPGD P15428 4/20 0.79
HTT P42858 1/20 0.79
ALOX12 P18054 3/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL9620880 0.87 ALDH1A1 (0.79) ALDH1A1HPGDHTTMAPTKMT2A
SCHEMBL9620749 0.84 HPGD (0.74) ALDH1A1HPGDHTTALOX12LMNA
SCHEMBL28030070 0.83 EPHX1 (0.73) ALDH1A1ALOX12LMNAMAPTKMT2A
SCHEMBL25517519 0.83 HPGD (0.63) ALDH1A1HPGDHTTALOX12LMNA
SCHEMBL8002218 0.82 HPGD (0.70) ALDH1A1HPGDHTTALOX12LMNA
SCHEMBL31388324 0.81 HPGD (0.80) ALDH1A1HPGDHTTALOX12LMNA
SCHEMBL3822985 0.81 HPGD (0.80) ALDH1A1HPGDHTTALOX12LMNA
SCHEMBL8970971 0.81 POLB (0.70) ALDH1A1HPGDLMNAPOLBMAPT
SCHEMBL10527551 0.77 ALDH1A1 (0.64) ALDH1A1HPGDHTTALOX12POLB
SCHEMBL27736065 0.77 ALDH1A1 (0.62) ALDH1A1HPGDHTTALOX12LMNA

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