SCHEMBL8069501

SCHEMBL8069501

Cn1ccc2c(C(=O)O)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
KDM4E B2RXH2 4/20 0.46
PTPN1 P18031 1/20 0.45
TSHR P16473 1/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
LMNA P02545 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MYC P01106 1/20 0.40

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
SCHEMBL22723993 0.85 BRD4 (0.50) BRD4L3MBTL1GAAKDM4ETP53
SCHEMBL9394461 0.79 BRD4 (0.51) BRD4NR4A1NR4A2NR4A3KDM4E
SCHEMBL926245 0.79 BRD4 (0.74) BRD4L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL30251521 0.79 PTPN1 (0.61) NR4A1NR4A2NR4A3KDM4EPTPN1
SCHEMBL1130987 0.79 PTPN1 (0.61) NR4A1NR4A2NR4A3KDM4EPTPN1
SCHEMBL15869662 0.78 PARP1 (0.52) BRD4NR4A1NR4A2NR4A3KDM4E
SCHEMBL29406795 0.77 NR4A1 (0.73) L3MBTL1NR4A1NR4A2NR4A3KDM4E
SCHEMBL27985 0.77 NR4A1 (0.73) L3MBTL1NR4A1NR4A2NR4A3KDM4E
SCHEMBL8268239 0.77 GAA (0.56) BRD4L3MBTL1GAAKDM4ETP53
SCHEMBL2280624 0.76 ALDH1A1 (0.46) BRD4L3MBTL1NR4A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009044018-A2 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed