SCHEMBL9738331

SCHEMBL9738331

O=C(NCC1CSC(c2cccnc2)N1)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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 SCHEMBL9717958 0.99 PTAFR (0.49) PTAFRKDM4EALDH1A1
SCHEMBL9717973 0.89 KDM4E (0.49) PTAFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9739377 0.88 KDM4E (0.48) PTAFRKDM4EALDH1A1
SCHEMBL9717853 0.88 TBXAS1 (0.45) KDM4EALDH1A1
SCHEMBL9646308 0.87 PTAFR (0.51) PTAFRKDM4EALDH1A1
SCHEMBL9647018 0.84 TBXAS1 (0.59) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9646356 0.83 TBXAS1 (0.58) KDM4EALDH1A1
SCHEMBL9718126 0.82 PTAFR (0.50) PTAFRALDH1A1
SCHEMBL9717886 0.82 KDM4E (0.52) PTAFRKDM4EALDH1A1
SCHEMBL9738340 0.78 TSHR (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO disclosed
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