SCHEMBL9522835

SCHEMBL9522835

COc1ccnc(C(=O)Cn2c(Cl)nc3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.52
LMNA P02545 3/20 0.49
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
CXCR3 P49682 1/20 0.42
GUSB P08236 1/20 0.42

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
SCHEMBL9522281 0.87 CTSD (0.52) CTSDLMNAMAPTALDH1A1NPSR1
SCHEMBL8268180 0.74 KDM4E (0.67) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL9522731 0.74 LMNA (0.58) CTSDLMNAMAPTALDH1A1KDM4E
SCHEMBL9522924 0.73 CTSD (0.41) CTSDLMNAKDM4EGUSB
SCHEMBL27039669 0.71 CCR1 (0.47) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL4288066 0.71 KDM4E (0.65) LMNAALDH1A1PTGDR2KDM4E
SCHEMBL4089473 0.70 MAPT (0.63) LMNAMAPTALDH1A1NPSR1PTGDR2
SCHEMBL9524921 0.70 LMNA (0.53) CTSDLMNAKDM4ECXCR3GUSB
SCHEMBL1852575 0.70 MAPT (0.48) CTSDLMNAMAPTALDH1A1NPSR1
SCHEMBL569988 0.70 KDM4E (0.70) LMNAMAPTALDH1A1PTGDR2KDM4E

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