SCHEMBL9111887

SCHEMBL9111887

[CH2]CCC=Cc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.61
KDM4E B2RXH2 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 4/20 0.38
CYP19A1 P11511 7/20 0.35
CYP11B2 P19099 7/20 0.35
CYP11B1 P15538 6/20 0.35
SMYD3 Q9H7B4 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL12425711 0.76
SCHEMBL543476 0.68
SCHEMBL5620989 0.67 MAPT (0.40) TSHRMEN1KMT2A
SCHEMBL5620987 0.67 MAPT (0.40) TSHRMEN1KMT2A
SCHEMBL19059633 0.65 KDM4E (0.55) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL4965314 0.65
SCHEMBL1997770 0.64
SCHEMBL5238058 0.64 AOC1 (0.50) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL10149598 0.64 AOC1 (0.50) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL11469461 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed