SCHEMBL9853969

SCHEMBL9853969

CCCCCCCOc1cccc(C(=O)Nc2ccn3c2CSC3c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.51
PTAFR P25105 1/20 0.50
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 3/20 0.46
SMPD1 P17405 3/20 0.46
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 2/20 0.44
DGAT1 O75907 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL9854003 0.97 PTAFR (0.51) TBXAS1PTAFRMAPK1TSHRALDH1A1
SCHEMBL9853908 0.91 PTAFR (0.53) TBXAS1PTAFRMAPK1TSHRALDH1A1
SCHEMBL9854100 0.90 PTAFR (0.52) TBXAS1PTAFRMAPK1TSHRNR1H4
SCHEMBL9853973 0.90 PTAFR (0.49) TBXAS1PTAFRMAPK1TSHRALDH1A1
SCHEMBL9854116 0.89 PTAFR (0.53) TBXAS1PTAFRMAPK1TSHRNR1H4
SCHEMBL9854056 0.89 PTAFR (0.50) TBXAS1PTAFRMAPK1TSHRKMT2A
SCHEMBL9854123 0.88 PTAFR (0.53) TBXAS1PTAFRMAPK1TSHR
SCHEMBL9853944 0.88 PTAFR (0.54) TBXAS1PTAFRMAPK1TSHRNR1H4
SCHEMBL9853960 0.87 PTAFR (0.56) TBXAS1PTAFRTSHRALDH1A1KMT2A
SCHEMBL9853933 0.86 PTAFR (0.51) TBXAS1PTAFRMAPK1TSHR

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