SCHEMBL9854056

SCHEMBL9854056

CC(C)CCOc1cccc(C(=O)Nc2ccn3c2CSC3c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.50
TBXAS1 P24557 2/20 0.46
NR1H4 Q96RI1 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TEK Q02763 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
BRAF P15056 1/20 0.41
KMT2A Q03164 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
SCHEMBL9853973 0.96 PTAFR (0.49) PTAFRTBXAS1NR1H4TSHRMAPK1
SCHEMBL9854003 0.91 PTAFR (0.51) PTAFRTBXAS1NR1H4TSHRMAPK1
SCHEMBL9853908 0.90 PTAFR (0.53) PTAFRTBXAS1TSHRMAPK1
SCHEMBL9853969 0.89 TBXAS1 (0.51) PTAFRTBXAS1NR1H4TSHRMAPK1
SCHEMBL9853954 0.89 PTAFR (0.56) PTAFRTBXAS1TSHRTEKBRAF
SCHEMBL9854068 0.89 PTAFR (0.56) PTAFRTBXAS1TSHRTEKBRAF
SCHEMBL9853944 0.88 PTAFR (0.54) PTAFRTBXAS1NR1H4TSHRMAPK1
SCHEMBL9853960 0.87 PTAFR (0.56) PTAFRTBXAS1TSHRTEKKMT2A
SCHEMBL9854123 0.87 PTAFR (0.53) PTAFRTBXAS1TSHRMAPK1TEK
SCHEMBL9854116 0.86 PTAFR (0.53) PTAFRTBXAS1NR1H4TSHRMAPK1

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