SCHEMBL9198125

SCHEMBL9198125

CCCC(=O)N(O)c1ccccc1CCCN1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.66
▸ TBXAS1 P24557 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL9280024 0.91 PTAFR (0.71) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9201317 0.88 PTAFR (0.70) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9199487 0.87 PTAFR (0.72) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9205526 0.85 PTAFR (0.69) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9819936 0.81 PTAFR (0.75) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9819753 0.80 PTAFR (1.00) PTAFRTBXAS1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819882 0.80 PTAFR (0.73) PTAFRTBXAS1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819996 0.80 PTAFR (0.98) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9202842 0.80 PTAFR (0.78) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9744339 0.79 PTAFR (0.91) PTAFRTBXAS1KDM4EALDH1A1

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
EP-0656004-A1 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1995-06-07 — — EP disclosed
WO-1994004537-A2 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1994-03-03 — — WO disclosed
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