SCHEMBL9302456

SCHEMBL9302456

NC(=O)c1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 1/20 0.62
HSD17B10 Q99714 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2B Q13224 1/20 0.58
F2 P00734 1/20 0.58
F10 P00742 1/20 0.58

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
SCHEMBL2881710 0.87 GAA (0.71) GAAHPGDSMN1; SMN2PKMHSD17B10
SCHEMBL9302508 0.86 GAA (0.69) GAAHPGDSMN1; SMN2PKMHSD17B10
Potassium Ion SCHEMBL9302501 0.84 GAA (0.63) GAAHPGDSMN1; SMN2PKMHSD17B10
SCHEMBL7274899 0.83 ALDH1A1 (0.68) GAAHPGDSMN1; SMN2PKMHSD17B10
SCHEMBL9672590 0.83 MAPT (0.47) GAAHPGDSMN1; SMN2PKMHSD17B10
SCHEMBL2878961 0.82 HSD17B10 (0.66) GAAHPGDSMN1; SMN2PKMHSD17B10
SCHEMBL9302827 0.81 MAPT (0.71) GAAHPGDSMN1; SMN2PKMHSD17B10
SCHEMBL4035159 0.80 GAA (0.75) GAAHPGDSMN1; SMN2PKMHSD17B10
SCHEMBL7272943 0.80 GAA (0.75) GAAHPGDSMN1; SMN2PKMHDAC3
SCHEMBL3320433 0.80 GAA (0.75) GAAHPGDSMN1; SMN2PKMHDAC3

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