SCHEMBL9303064

SCHEMBL9303064

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NN2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.52
TNF P01375 1/20 0.52
GALR3 O60755 2/20 0.52
NR2F2 P24468 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.51
PHGDH O43175 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
EDNRA P25101 1/20 0.47
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
RORC P51449 1/20 0.42

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
SCHEMBL9302266 0.85 PTAFR (0.55) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302296 0.82 PTAFR (0.52) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9301901 0.82 PTAFR (0.47) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL8129994 0.81 TNF (0.46) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9299864 0.80 PTAFR (0.53) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9694241 0.79 MMP2 (0.45) PTAFRTNFHDAC1HDAC6ALDH1A1
SCHEMBL9302451 0.79 AGTR2 (0.47) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9303050 0.78 PTAFR (0.59) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302155 0.77 PTAFR (0.58) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9300543 0.76 TNF (0.67) PTAFRTNFGALR3NR2F2RAB9A

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 5 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
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO 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