SCHEMBL6842954

SCHEMBL6842954

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.68
MAPT P10636 4/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
POLB P06746 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 8/20 0.60
HSD17B10 Q99714 7/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 6/20 0.58
HTT P42858 3/20 0.56
GAA P10253 2/20 0.56
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
CYP1A2 P05177 2/20 0.53

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
SCHEMBL6842955 0.85 MAPT (0.69) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6648776 0.83 NPC1 (0.76) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11369264 0.81 KDM4E (0.76) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1905589 0.81 KDM4E (1.00) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29992538 0.81 KDM4E (1.00) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30868868 0.78 KDM4E (0.76) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13803708 0.77 HPGD (0.74) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9482692 0.76 SMN1; SMN2 (0.66) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30343284 0.76 KDM4E (0.71) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9157755 0.76 KDM4E (0.71) KDM4EMAPTNPC1RAB9ASMN1; 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