SCHEMBL9216533

SCHEMBL9216533

CC(C)N(C[S+]([O-])c1nc2cnccc2s1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 10/20 0.34
LATS2 Q9NRM7 7/20 0.34
CYP2A6 P11509 2/20 0.33
OGA O60502 3/20 0.33
CYP2C9 P11712 1/20 0.33
LTA4H P09960 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL9209935 0.75 CYP2C9 (0.35) LATS1LATS2CYP2A6CYP2C9LTA4H
SCHEMBL5848920 0.71 CYP2A6 (0.31) CYP2A6LTA4HHRH3
SCHEMBL9272981 0.70 CYP2C9 (0.43) LATS1CYP2C9
SCHEMBL9215944 0.68 HTR1A (0.49) CYP2C9
SCHEMBL9211319 0.68 MYC (0.40) LATS1LATS2LTA4HHRH3
SCHEMBL9208395 0.66 CHRNB2 (0.40) HRH3
SCHEMBL2624386 0.66 AAK1 (0.40) LATS1LATS2CYP2A6OGACYP2C9
SCHEMBL24947150 0.65 OGA (0.38) LATS1LATS2CYP2A6OGACYP2C9
SCHEMBL9211312 0.65 MKNK1 (0.33) LATS1HRH3
SCHEMBL31227179 0.63 KMT2A (0.51) CYP2A6HRH3

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-0405976-B1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA CO (JP) 1995-04-05 EP disclosed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US disclosed
US-5141946-A Antisecretory agents; acid resistance MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed