SCHEMBL9113349

SCHEMBL9113349

[CH2]C/C=C/CCc1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
DDAH1 O94760 1/20 0.51
CHRM1 P11229 1/20 0.51
PDE10A Q9Y233 2/20 0.50
GAA P10253 1/20 0.49
BCHE P06276 1/20 0.47
HTT P42858 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47

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
SCHEMBL8322003 0.82 POLB (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL293402 0.80 POLB (0.72) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL230157 0.79 POLB (0.84) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL833457 0.79 POLB (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL9302629 0.79 POLB (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL28706592 0.78 POLB (0.70) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL293269 0.77 POLB (0.79) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL291451 0.76 DDAH1 (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7006523 0.76 POLB (1.00) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7854448 0.76 POLB (0.92) POLBNPC1RAB9ADDAH1CHRM1

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