SCHEMBL9302033

SCHEMBL9302033

CN(C(=O)c1ccc(Cc2nc3ccccc3[nH]2)cc1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PTAFR P25105 1/20 0.59
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL9303440 0.90 HPGD (0.51) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9303110 0.88 PTAFR (0.52) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9303272 0.87 HPGD (0.58) HPGDHSD17B10ALDH1A1SMN1; SMN2PKM
SCHEMBL8324787 0.86 PTAFR (0.49) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9302316 0.86 PTAFR (0.51) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9302186 0.85 HPGD (0.46) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9301769 0.85 HPGD (0.46) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9301352 0.83 TSHR (0.48) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9302224 0.82 PTAFR (0.52) HPGDHSD17B10PTAFRALDH1A1SMN1; SMN2
SCHEMBL9302149 0.82 AR (0.55) HPGDPTAFRALDH1A1SMN1; SMN2MEN1

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