SCHEMBL7649595

SCHEMBL7649595

CCOC(=O)C(C)(C)n1c(=O)[nH]c2ccc(C)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.41
DDR1 Q08345 1/20 0.41
GLA P06280 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
SCHEMBL7649684 0.88 CA12 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL7651932 0.88 FEN1 (0.51) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7651842 0.88 CA12 (0.51) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL10084842 0.87 KDM4E (0.42) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL7652236 0.85 SMN1; SMN2 (0.55) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL7653115 0.84 SMN1; SMN2 (0.57) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL7651738 0.84 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL7657940 0.84 CA12 (0.55) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL7653151 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL8133826 0.83 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2GAAMAPT

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-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed