SCHEMBL9717886

SCHEMBL9717886

O=C(c1ccccc1)c1ccc(NCC2CSC(c3cccnc3)N2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PTAFR P25105 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ TBXAS1 P24557 1/20 0.42

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
SCHEMBL9717973 0.91 KDM4E (0.49) KDM4EALDH1A1PTAFR
Hydrochloric Acid SCHEMBL9739377 0.90 KDM4E (0.48) KDM4EALDH1A1PTAFR
SCHEMBL9737892 0.86 KDM4E (0.50) KDM4EALDH1A1PTAFR
SCHEMBL9717899 0.83 KDM4E (0.46) KDM4EALDH1A1PTAFRNAMPT
SCHEMBL9738331 0.82 PTAFR (0.50) KDM4EALDH1A1PTAFR
Hydrochloric Acid SCHEMBL9717958 0.81 PTAFR (0.49) KDM4EALDH1A1PTAFR
SCHEMBL9646308 0.79 PTAFR (0.51) KDM4EALDH1A1PTAFR
SCHEMBL9717965 0.75 KDM4E (0.47) KDM4EALDH1A1PTAFR
SCHEMBL9717875 0.75 NAMPT (0.45) KDM4EALDH1A1PTAFRNAMPT
Hydrochloric Acid SCHEMBL9717922 0.75 KDM4E (0.47) KDM4EALDH1A1PTAFR

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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