SCHEMBL9853959

SCHEMBL9853959

O=C(Nc1ccn2c1CSC2c1cccnc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.46
KDR P35968 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.44
TBXAS1 P24557 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 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
Nitric Acid SCHEMBL9854098 0.87 PTAFR (0.58) PTAFRALDH1A1TBXAS1
SCHEMBL9853936 0.86 PTAFR (0.61) PTAFRTBXAS1
SCHEMBL9853918 0.86 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854014 0.86 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854059 0.85 PTAFR (0.58) PTAFRPOLBLMNAKDM4ETDP1
SCHEMBL9854048 0.85 PTAFR (0.58) PTAFRPOLBRAB9ALMNAMAPT
SCHEMBL9853917 0.85 PTAFR (0.58) PTAFRTBXAS1
SCHEMBL9853995 0.85 PTAFR (0.58) PTAFRTBXAS1
SCHEMBL9854042 0.85 PTAFR (0.58) PTAFRTBXAS1GAA
SCHEMBL9853955 0.85 PTAFR (0.58) PTAFRTBXAS1

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