SCHEMBL9302833

SCHEMBL9302833

CCOC(=O)c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.73
RECQL P46063 1/20 0.73
MAPK10 P53779 1/20 0.73
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
CYP11B1 P15538 6/20 0.63
CYP11B2 P19099 6/20 0.63
HTT P42858 4/20 0.63
LMNA P02545 3/20 0.63
NPSR1 Q6W5P4 2/20 0.58
TSHR P16473 1/20 0.58
TNF P01375 1/20 0.57
MAPK1 P28482 1/20 0.57
F2RL3 Q96RI0 2/20 0.54
GAA P10253 1/20 0.53
IDO1 P14902 1/20 0.53
HRH3 Q9Y5N1 3/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL3497107 0.87 HDAC1 (0.70) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL9302980 0.87 CYP11B1 (0.62) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL1608602 0.85 SMN1; SMN2 (0.60) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL10467944 0.84 SMN1; SMN2 (0.59) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL10467889 0.84 SMN1; SMN2 (0.59) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL10468260 0.83 TP53 (0.70) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL10469085 0.83 SMN1; SMN2 (0.57) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL9304028 0.82 TNF (0.51) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL9303216 0.82 TNF (0.51) SMN1; SMN2RECQLMAPK10HDAC1HDAC6
SCHEMBL1750364 0.81 HDAC1 (0.73) SMN1; SMN2HDAC1HDAC6CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US claimed
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