SCHEMBL9302226

SCHEMBL9302226

Cc1nc2ccccc2n1Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
TNF P01375 1/20 0.71
GALR3 O60755 2/20 0.66
NR2F2 P24468 2/20 0.66
RAB9A P51151 1/20 0.66
PTAFR P25105 1/20 0.60
HRH3 Q9Y5N1 3/20 0.57
AGTR1 P30556 2/20 0.57
AGTR2 P50052 2/20 0.57
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
APAF1 O14727 1/20 0.54
PPARG P37231 1/20 0.54

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
SCHEMBL1331422 0.90 HDAC1 (0.74) HDAC1HDAC6TNFGALR3NR2F2
Hydrochloric Acid SCHEMBL3500155 0.89 HDAC1 (0.73) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL6170393 0.87 HDAC1 (0.57) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL12850475 0.84 HDAC1 (1.00) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL3668391 0.84 HDAC1 (0.73) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL14000450 0.84 HDAC1 (0.81) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL231295 0.84 TNF (1.00) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL9302136 0.84 HDAC1 (0.72) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL9256992 0.83 HDAC1 (0.68) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL6169712 0.82 HDAC1 (0.52) HDAC1HDAC6TNFGALR3NR2F2

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