SCHEMBL9853960

SCHEMBL9853960

COc1cccc(C(=O)Nc2ccn3c2CSC3c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.56
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
TBXAS1 P24557 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TEK Q02763 1/20 0.45
CSF1R P07333 1/20 0.44
ABCB1 P08183 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
SCHEMBL9854005 0.93 PTAFR (0.53) PTAFRALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL9853911 0.91 PTAFR (0.56) PTAFRALDH1A1TBXAS1
SCHEMBL9854068 0.91 PTAFR (0.56) PTAFRALDH1A1SMN1; SMN2TSHRTBXAS1
SCHEMBL9853954 0.91 PTAFR (0.56) PTAFRALDH1A1SMN1; SMN2TSHRTBXAS1
SCHEMBL9854118 0.91 PTAFR (0.60) PTAFRALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL9853908 0.91 PTAFR (0.53) PTAFRALDH1A1SMN1; SMN2TSHRTBXAS1
SCHEMBL9854002 0.90 PTAFR (0.59) PTAFRTBXAS1MEN1KMT2ARAB9A
SCHEMBL9853951 0.90 PTAFR (0.59) PTAFRTBXAS1MEN1KMT2ARAB9A
SCHEMBL9853928 0.90 PTAFR (0.56) PTAFRALDH1A1TBXAS1
SCHEMBL9854130 0.90 PTAFR (0.51) PTAFRSMN1; SMN2TSHRPOLBTBXAS1

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