SCHEMBL9718003

SCHEMBL9718003

CN(c1cccc(C(=O)c2ccccc2)c1)C1CSC(c2cccnc2)N1C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.46
▸ GRM2 Q14416 1/20 0.43

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
Hydrochloric Acid SCHEMBL9717943 0.99 PTAFR (0.45) PTAFRGRM2
SCHEMBL9718007 0.76 PTAFR (0.53) PTAFR
Hydrochloric Acid SCHEMBL9717948 0.75 PTAFR (0.52) PTAFR
SCHEMBL9646273 0.74 PTAFR (0.41) PTAFR
SCHEMBL9647005 0.73 KDM4E (0.56) —
Hydrochloric Acid SCHEMBL9647770 0.72 KDM4E (0.55) —
SCHEMBL9717965 0.72 KDM4E (0.47) PTAFRGRM2
Hydrochloric Acid SCHEMBL9717922 0.72 KDM4E (0.47) PTAFRGRM2
SCHEMBL9645118 0.71 GRM2 (0.41) PTAFRGRM2
SCHEMBL9250009 0.71 ALDH1A1 (0.54) —

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
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO claimed
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO disclosed
US-5149704-A Pyridyl- or thiazolidineaminesor ureas ABBOTT LABORATORIES (US) 1992-09-22 — — US disclosed
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