SCHEMBL9110087

SCHEMBL9110087

[CH2]C=CC=Cc1coc2ccc3ccccc3c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
POLB P06746 4/20 0.54
PTPN1 P18031 3/20 0.54
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 5/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 5/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9110902 0.89 POLB (0.57) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9113285 0.85 MAPT (0.55) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9114427 0.80 POLB (0.60) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9112830 0.79 POLB (0.54) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9111442 0.77 POLB (0.51) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9114334 0.77 POLB (0.51) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9111405 0.77 POLB (0.51) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9114422 0.76 POLB (0.60) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9238117 0.76 KDM4E (0.52) MAPTMEN1KMT2APOLBPTPN1
SCHEMBL9113589 0.75 POLB (0.49) MAPTMEN1KMT2APOLBPTPN1

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