SCHEMBL9109725

SCHEMBL9109725

[CH2]c1coc2ccc3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
PTPN1 P18031 1/20 0.53
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 5/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL30009774 0.80 POLB (0.56) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL7052888 0.77 KDM4E (0.55) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL9109729 0.77 POLB (0.53) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL9114427 0.77 POLB (0.60) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL9271719 0.74 KDM4E (0.53) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL1312070 0.74 KDM4E (0.53) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL16412547 0.74 POLB (0.50) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL15993242 0.74 HNF4A (0.54) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL9110902 0.74 POLB (0.57) POLBPTPN1KDM4EMAPTALDH1A1
SCHEMBL23645504 0.73 POLB (0.53) POLBPTPN1KDM4EMAPTALDH1A1

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