SCHEMBL9853914

SCHEMBL9853914

O=C(Nc1ccn2c1CSC2c1cccnc1)c1ccccc1C(=O)N1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TBXAS1 P24557 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL9853935 0.82 PTAFR (0.56) PTAFRALDH1A1ALOX15TBXAS1
SCHEMBL9854020 0.81 PTAFR (0.67) PTAFRTBXAS1
SCHEMBL9853945 0.81 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9854024 0.80 PTAFR (0.68) PTAFRTBXAS1
SCHEMBL11009772 0.79 PTAFR (0.53) PTAFR
SCHEMBL9854109 0.79 PTAFR (0.52) PTAFRALDH1A1
SCHEMBL9854076 0.78 PTAFR (0.57) PTAFRALDH1A1TBXAS1
SCHEMBL9853993 0.78 PTAFR (0.57) PTAFRTBXAS1
SCHEMBL9853930 0.77 PTAFR (0.64) PTAFRALDH1A1TBXAS1
SCHEMBL9853996 0.77 PTAFR (0.51) PTAFRALDH1A1

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
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 — — EP disclosed
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