SCHEMBL9302296

SCHEMBL9302296

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NN2CCCC(C)(C)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GALR3 O60755 2/20 0.48
NR2F2 P24468 2/20 0.48
RAB9A P51151 1/20 0.48
TNF P01375 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HRH3 Q9Y5N1 6/20 0.44
EDNRA P25101 1/20 0.43
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 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
SCHEMBL9303064 0.82 PTAFR (0.52) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL9302266 0.80 PTAFR (0.55) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL9303050 0.77 PTAFR (0.59) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL9301901 0.77 PTAFR (0.47) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL9302155 0.76 PTAFR (0.58) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8129273 0.76 PTAFR (0.52) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL9303746 0.75 PTAFR (0.67) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8137319 0.75 HDAC1 (0.56) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8123854 0.75 PTAFR (0.47) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8137536 0.74 TNF (0.59) PTAFRHDAC1HDAC6GALR3NR2F2

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
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