SCHEMBL9717973

SCHEMBL9717973

O=C(c1ccccc1)c1cccc(NCC2CSC(c3cccnc3)N2)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PTAFR P25105 1/20 0.49

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 SCHEMBL9739377 0.99 KDM4E (0.48) KDM4EALDH1A1PTAFR
SCHEMBL9717886 0.91 KDM4E (0.52) KDM4EALDH1A1PTAFR
SCHEMBL9738331 0.89 PTAFR (0.50) KDM4EALDH1A1PTAFR
Hydrochloric Acid SCHEMBL9717958 0.88 PTAFR (0.49) KDM4EALDH1A1PTAFR
SCHEMBL9646308 0.87 PTAFR (0.51) KDM4EALDH1A1PTAFR
SCHEMBL9737892 0.83 KDM4E (0.50) KDM4EALDH1A1PTAFR
SCHEMBL9647018 0.81 TBXAS1 (0.59) KDM4EALDH1A1
SCHEMBL9717923 0.80 PTAFR (0.49) PTAFR
Hydrochloric Acid SCHEMBL9646356 0.80 TBXAS1 (0.58) KDM4EALDH1A1
SCHEMBL9718007 0.80 PTAFR (0.53) KDM4EPTAFR

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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