SCHEMBL9717967

SCHEMBL9717967

COc1cc(C(=O)c2cccc(NC(=O)NCC3CSC(c4cccnc4)N3C(=O)OC(C)(C)C)c2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 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
SCHEMBL9717964 0.82 TSHR (0.42) PTAFRALDH1A1POLBMAPTGFER
SCHEMBL9717962 0.82 PTAFR (0.47) PTAFR
SCHEMBL9646940 0.81 PTAFR (0.50) PTAFR
SCHEMBL9717853 0.79 TBXAS1 (0.45) ALDH1A1POLBMAPTGFER
SCHEMBL9647843 0.76 PTAFR (0.52) PTAFR
SCHEMBL9646361 0.73 ALDH1A1 (0.43) PTAFRALDH1A1POLBMAPTGFER
SCHEMBL9646821 0.73 TBXAS1 (0.56) ALDH1A1
Hydrochloric Acid SCHEMBL9646861 0.72 TBXAS1 (0.55) ALDH1A1
SCHEMBL9717959 0.72 GPR119 (0.42) ALDH1A1MAPT
SCHEMBL8871099 0.72 PTAFR (0.40) PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback