SCHEMBL9853975

SCHEMBL9853975

O=C(Cc1ccccc1)Nc1ccn2c1CSC2c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.54
KDM6B O15054 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9854109 0.90 PTAFR (0.52) PTAFRKDM6BKDM4DKDM4CALDH1A1
SCHEMBL9853967 0.88 PTAFR (0.64) PTAFRALDH1A1MAPT
SCHEMBL9853996 0.85 PTAFR (0.51) PTAFRALDH1A1
SCHEMBL9853930 0.85 PTAFR (0.64) PTAFRALDH1A1
SCHEMBL9853977 0.84 PTAFR (0.60) PTAFRALDH1A1
SCHEMBL9853935 0.83 PTAFR (0.56) PTAFRALDH1A1
SCHEMBL9853945 0.83 PTAFR (0.56) PTAFR
SCHEMBL9854038 0.83 PTAFR (0.54) PTAFR
SCHEMBL9853984 0.82 POLB (0.49) PTAFRMAPT
SCHEMBL9853957 0.82 PTAFR (0.54) 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