SCHEMBL6842955

SCHEMBL6842955

CC(=O)Cc1nc2ccccc2[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
KMT2A Q03164 4/20 0.69
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MEN1 O00255 3/20 0.69
POLB P06746 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
KDM4E B2RXH2 11/20 0.67
ALDH1A1 P00352 9/20 0.63
HPGD P15428 6/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
HSD17B10 Q99714 5/20 0.60
HTT P42858 3/20 0.59
GAA P10253 3/20 0.59
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
CASP1 P29466 1/20 0.58

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
SCHEMBL6648776 0.86 NPC1 (0.76) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6842954 0.85 KDM4E (0.68) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13803708 0.85 HPGD (0.74) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11369264 0.84 KDM4E (0.76) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1905589 0.80 KDM4E (1.00) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29992538 0.80 KDM4E (1.00) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10337354 0.79 ALDH1A1 (0.68) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30868868 0.78 KDM4E (0.76) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1128908 0.77 KDM4E (0.71) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1161820 0.77 KDM4E (0.70) MAPTKMT2ANPC1RAB9ASMN1; SMN2

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
US-6761874-B2 CATALYTIC HYDROGENATION OF 2-QUINOXALINONE COMPOUND COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-07-13 US disclosed
US-20030165421-A1 Process for the preparation of hydrogen peroxide COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-09-04 US disclosed