SCHEMBL9439503

SCHEMBL9439503

CCOCCCSc1nc2cc(Cl)ccc2s1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.58
TMEM97 Q5BJF2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PPARA Q07869 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL9439285 0.92 ALOX5 (0.60) ALOX5TMEM97SMN1; SMN2NPSR1PPARA
SCHEMBL9439717 0.87 TMEM97 (0.60) ALOX5TMEM97SMN1; SMN2NPSR1PPARA
SCHEMBL9743956 0.82 ALOX5 (0.48) ALOX5SMN1; SMN2NPSR1PPARAL3MBTL1
SCHEMBL30423143 0.81 SMN1; SMN2 (0.71) ALOX5TMEM97SMN1; SMN2NPSR1PPARA
SCHEMBL9622398 0.81 SMN1; SMN2 (0.71) ALOX5TMEM97SMN1; SMN2NPSR1PPARA
SCHEMBL9744120 0.80 ALOX5 (0.55) ALOX5TMEM97SMN1; SMN2NPSR1PPARA
SCHEMBL8133052 0.78 CYP1A2 (0.65) ALOX5TMEM97SMN1; SMN2NPSR1PPARA
SCHEMBL2187272 0.78 CYP1A2 (0.56) ALOX5TMEM97SMN1; SMN2NPSR1CYP1A2
SCHEMBL9439911 0.78 ALOX5 (0.56) ALOX5TMEM97SMN1; SMN2NPSR1PPARA
SCHEMBL9388713 0.77 ALOX5 (0.61) ALOX5TMEM97SMN1; SMN2NPSR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607355-A1 3-UREIDO-BENZODIAZEPINONES USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE. RHONE POULENC RORER SA (FR) 1994-07-27 EP disclosed
US-5294629-A Benzothiazole and benzimidazole derivatives and antiulcer agent containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1994-03-15 US disclosed
WO-1993007130-A1 3-UREIDO-BENZODIAZEPINONES USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE RHONE-POULENC RORER S.A. (FR) 1993-04-15 WO 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