SCHEMBL9853984

SCHEMBL9853984

CCCCCC(=O)Nc1ccn2c1CSC2c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TBXAS1 P24557 2/20 0.49
LMNA P02545 1/20 0.48
PTAFR P25105 1/20 0.48
ADRB2 P07550 1/20 0.42
KMT2A Q03164 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
SCHEMBL9854052 0.86 PTAFR (0.47) POLBMAPTNPSR1TBXAS1PTAFR
SCHEMBL9854109 0.85 PTAFR (0.52) MAPTPTAFR
SCHEMBL9854038 0.84 PTAFR (0.54) TBXAS1PTAFR
SCHEMBL9853975 0.82 PTAFR (0.54) MAPTPTAFR
SCHEMBL9854014 0.80 PTAFR (0.59) TBXAS1PTAFR
SCHEMBL9853969 0.80 TBXAS1 (0.51) POLBMAPTNPSR1TBXAS1PTAFR
SCHEMBL9854016 0.79 PTAFR (0.49) TBXAS1PTAFR
SCHEMBL9854003 0.79 PTAFR (0.51) POLBTBXAS1PTAFRKMT2A
SCHEMBL9854108 0.79 PTAFR (0.56) TBXAS1PTAFR
SCHEMBL9853930 0.79 PTAFR (0.64) TBXAS1PTAFR

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