SCHEMBL9112830

SCHEMBL9112830

[CH2]CC=Cc1coc2ccc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
PTPN1 P18031 3/20 0.54
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 6/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 7/20 0.46
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 5/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9113285 0.90 MAPT (0.55) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9114334 0.89 POLB (0.51) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9113589 0.86 POLB (0.49) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9110902 0.83 POLB (0.57) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9114427 0.80 POLB (0.60) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9110087 0.79 MAPT (0.59) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9111442 0.77 POLB (0.51) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9111405 0.77 POLB (0.51) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9114422 0.76 POLB (0.60) POLBPTPN1MAPTMEN1KMT2A
SCHEMBL9111418 0.76 KDM4E (0.52) POLBPTPN1MAPTMEN1KMT2A

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