SCHEMBL9112273

SCHEMBL9112273

C=Cc1cccc(OCC(=O)N2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.56
TPSD1 Q9BZJ3 1/20 0.56
TPSG1 Q9NRR2 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 3/20 0.49
RECQL P46063 1/20 0.48
FKBP1A P62942 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SYK P43405 1/20 0.46
ENPP2 Q13822 3/20 0.45
GPR183 P32249 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL15156731 0.89 TPSAB1 (0.58) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL9112269 0.88 TPSAB1 (0.56) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL654289 0.81 RECQL (0.71) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL656547 0.81 FKBP1A (0.72) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL5072941 0.80 MEN1 (0.78) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL13806604 0.79 TPSAB1 (0.58) TPSAB1TPSD1TPSG1MEN1KMT2A
Hydrochloric Acid SCHEMBL211137 0.78 MEN1 (0.76) TPSAB1TPSD1TPSG1MEN1KMT2A
Cyanide SCHEMBL26699229 0.78 GAA (0.69) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL1374133 0.76 NPC1 (0.77) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL5942013 0.75 LMNA (0.58) MEN1KMT2ALMNASYKKDM4E

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