SCHEMBL9802383

SCHEMBL9802383

CC(=O)Nc1ccc(-n2ccnc2[S+]([O-])Cc2ccccc2N2CCOCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
CYP1A2 P05177 2/20 0.43
MOK Q9UQ07 2/20 0.42
MAPT P10636 4/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
DGAT1 O75907 5/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
WNT3A P56704 1/20 0.38
KDM4E B2RXH2 1/20 0.38
STAT3 P40763 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL9802333 0.82 KDM4E (0.35) CYP1A2MAPTCYP2C19SMN1; SMN2LMNA
SCHEMBL9803011 0.81 RAB9A (0.44) RAB9ACYP1A2MOKMAPTCYP2C19
SCHEMBL9803146 0.81 ORAI1 (0.35) MAPTKDM4E
SCHEMBL9802871 0.77 SMN1; SMN2 (0.38) RAB9ACYP1A2MAPTNPC1SMN1; SMN2
SCHEMBL9803159 0.73 PTK2 (0.39) KDM4E
SCHEMBL50482 0.72 MAPT (0.69) RAB9ACYP1A2MAPTCYP2C19NPC1
SCHEMBL9802979 0.66 KDM4E (0.37) KDM4E
SCHEMBL28456587 0.65 RAB9A (0.69) RAB9ACYP1A2MAPTCYP2C19NPC1
SCHEMBL9802604 0.63 ALDH1A1 (0.54) CYP1A2MAPTLMNAPOLB
SCHEMBL22500647 0.63 MAPT (0.65) RAB9ACYP1A2MAPTCYP2C19NPC1

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
US-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US disclosed
US-5002945-A Antiulcer agents TANABE SEIYAKU CO. LTD. (JP) 1991-03-26 US disclosed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US disclosed
EP-0270091-A1 Imidazole derivatives, processes for the preparation of the same, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments of therapeutic value, and intermediates formed during said processes TANABE SEIYAKU CO., LTD. (JP) 1988-06-08 EP disclosed