SCHEMBL9439717

SCHEMBL9439717

COCCCSc1nc2cc(Cl)ccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALOX5 P09917 4/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARA Q07869 4/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PSMD14 O00487 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP2 P08253 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL9439503 0.87 ALOX5 (0.58) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL9439285 0.82 ALOX5 (0.60) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL9439551 0.81 ALOX5 (0.54) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL8133052 0.80 CYP1A2 (0.65) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL9622398 0.80 SMN1; SMN2 (0.71) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL30423143 0.80 SMN1; SMN2 (0.71) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL9439564 0.79 ALOX5 (0.64) TMEM97SMN1; SMN2NPSR1ALOX5PPARA
SCHEMBL9388713 0.79 ALOX5 (0.61) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL9744120 0.79 ALOX5 (0.55) TMEM97SMN1; SMN2NPSR1ALOX5CYP1A2
SCHEMBL11113364 0.79 TMEM97 (0.60) TMEM97SMN1; SMN2NPSR1ALOX5PPARA

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
US-5294629-A Benzothiazole and benzimidazole derivatives and antiulcer agent containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1994-03-15 US disclosed
EP-0370436-A2 Novel benzothiazole and benzimidazole derivatives and antiulcer agent containing the same MEIJI SEIKA KAISHA LTD. (JP) 1990-05-30 EP disclosed