SCHEMBL9113979

SCHEMBL9113979

COc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.69
NPC1 O15118 2/20 0.69
CASP3 P42574 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
SENP8 Q96LD8 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
SENP6 Q9GZR1 1/20 0.69
GAA P10253 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
HEXA P06865 1/20 0.61
HEXB P07686 1/20 0.61
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 2/20 0.55
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RPS6KA2 Q15349 2/20 0.54

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
SCHEMBL9081746 0.90 CYP1A2 (0.65) RAB9ANPC1CASP3SMN1; SMN2SENP8
SCHEMBL10421957 0.82 RAB9A (1.00) RAB9ANPC1CASP3SMN1; SMN2SENP8
SCHEMBL7919296 0.80 RAB9A (0.76) RAB9ANPC1CASP3SMN1; SMN2SENP8
SCHEMBL10050510 0.79 RAB9A (0.85) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL18501643 0.78 RAB9A (0.83) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL7077653 0.78 MMP2 (0.60) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL8618065 0.77 NPC1 (0.76) RAB9ANPC1CASP3SMN1; SMN2SENP8
SCHEMBL29168851 0.77 RAB9A (0.68) RAB9ACASP3GAACYP1A2CYP2D6
SCHEMBL30758623 0.77 RAB9A (0.68) RAB9ACASP3GAACYP1A2CYP2D6
SCHEMBL10508468 0.77 RAB9A (0.76) RAB9ANPC1CASP3SMN1; SMN2SENP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
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