SCHEMBL9522924

SCHEMBL9522924

O=C(Cn1c(Cl)nc2cc3ccccc3cc21)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.41
GUSB P08236 1/20 0.41
LMNA P02545 1/20 0.40
CTNNB1 P35222 4/20 0.39
WNT3A P56704 3/20 0.39
PDE2A O00408 1/20 0.39
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
KDR P35968 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GRM4 Q14833 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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 0.85 CTSD (0.39) CTSDGUSBLMNACTNNB1WNT3A
SCHEMBL1260120 0.74 MAPT (0.40) CTSDGUSBLMNACTNNB1WNT3A
SCHEMBL9522835 0.73 CTSD (0.52) CTSDGUSBLMNAKDM4E
SCHEMBL20556851 0.70 F2R (0.54) CTSDGUSBEGFR
SCHEMBL9523358 0.70 CTSD (0.53) CTSDGUSBKDM4E
SCHEMBL9522731 0.68 LMNA (0.58) CTSDGUSBLMNAKDM4E
SCHEMBL9524921 0.67 LMNA (0.53) CTSDGUSBLMNAKDM4E
SCHEMBL2334167 0.66 CES2 (0.52) LMNACTNNB1WNT3AEGFRCES2
SCHEMBL802201 0.65 KDM4E (0.57) KDM4E
SCHEMBL208041 0.65 CES2 (0.59) LMNACTNNB1WNT3ACES2CES1

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 3 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-4873237-A ANTIULCER AGENTS JOHN WYETH & BROTHER LIMITED (GB) 1989-10-10 US disclosed
EP-0129409-A2 Thiazolo - and thiazinobenzimidazoles JOHN WYETH & BROTHER LIMITED (GB) 1984-12-27 EP disclosed