SCHEMBL9302097

SCHEMBL9302097

Cc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.72
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR2 P34972 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
POLB P06746 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL9303630 0.87 PTAFR (0.77) PTAFRMEN1KMT2AGAARAB9A
SCHEMBL9303479 0.85 PTAFR (0.76) PTAFRMEN1KMT2AGAACNR2
SCHEMBL9302834 0.84 PTAFR (1.00) PTAFRMEN1KMT2AGAARAB9A
SCHEMBL9302693 0.83 PTAFR (0.80) PTAFRMEN1KMT2AGAAL3MBTL1
SCHEMBL9302507 0.81 PTAFR (0.77) PTAFRMEN1KMT2AGAARAB9A
SCHEMBL31441369 0.76 MEN1 (0.71) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL28987743 0.76 MEN1 (0.71) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL9302509 0.75 PTAFR (0.83) PTAFRRAB9A
SCHEMBL9301338 0.72 PTAFR (0.78) PTAFRMEN1KMT2AGAARAB9A
SCHEMBL9304261 0.71 PTAFR (0.75) PTAFRMEN1KMT2AGAAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed