SCHEMBL9523358

SCHEMBL9523358

O=C(Cn1c(S)nc2ccccc21)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 11/20 0.53
GUSB P08236 4/20 0.48
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
APEX1 P27695 1/20 0.41
CXCR3 P49682 1/20 0.41

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
SCHEMBL9522691 0.86 CTSD (0.39) CTSDGUSBKDM4EL3MBTL1
SCHEMBL20556851 0.84 F2R (0.54) CTSDGUSBHTTCYP1A2CYP2D6
SCHEMBL9522910 0.82 LMNA (0.45) CTSDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9522281 0.81 CTSD (0.52) CTSDKDM4EALDH1A1HPGDHTT
SCHEMBL9523067 0.80 CTSD (0.47) CTSDGUSBKDM4EHSD17B10CYP1A2
SCHEMBL4292873 0.78 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDAPEX1
SCHEMBL10466119 0.75 CTSD (0.47) CTSDGUSBKDM4EHSD17B10ALDH1A1
SCHEMBL5121884 0.73 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL13610820 0.73 ALDH1A1 (0.50) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL10556857 0.71 HSD17B10 (0.43) CTSDKDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129409-B1 Thiazolo - and thiazinobenzimidazoles WYETH JOHN & BROTHER LTD (GB) 1993-10-27 EP disclosed
US-4794123-A Thiazolo- and thiazino- benzimidazoles and their use as anti-ulcer agents JOHN WYETH & BROTHER LIMITED (GB) 1988-12-27 US disclosed
US-4786636-A ANTISECRETARY JOHN WYETH & BROTHER LIMITED (GB) 1988-11-22 US disclosed
US-4725605-A Thiazolo- and thiazino-benzimidazoles, and their use as anti-ulcer/hypersecretion agents JOHN WYETH & BROTHER LIMITED (GB) 1988-02-16 US disclosed
EP-0129409-A2 Thiazolo - and thiazinobenzimidazoles JOHN WYETH & BROTHER LIMITED (GB) 1984-12-27 EP disclosed