SCHEMBL7654811

SCHEMBL7654811

CCOC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.71
MAPT P10636 2/20 0.71
KDM4E B2RXH2 3/20 0.69
MAPK1 P28482 2/20 0.69
MAPK10 P53779 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
TNF P01375 2/20 0.62
GLA P06280 1/20 0.60
MPO P05164 2/20 0.57
USP2 O75604 1/20 0.57
CYP1A2 P05177 1/20 0.57
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 1/20 0.55
SLC6A3 Q01959 1/20 0.54
SLC18A2 Q05940 1/20 0.54
KMT2A Q03164 1/20 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
SCHEMBL7648336 0.95 HSD17B10 (0.67) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL7649673 0.95 HSD17B10 (0.67) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL7648358 0.93 KDM4E (0.67) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL10830938 0.85 TNF (0.58) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL13332558 0.85 CYP1A2 (0.62) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL7650071 0.83 KDM4E (0.58) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL5406225 0.82 HSD17B10 (1.00) HSD17B10MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL7651742 0.81 HSD17B10 (0.52) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL2861287 0.81 MPO (0.62) HSD17B10MAPTKDM4EMAPK1MAPK10
SCHEMBL7651736 0.81 HSD17B10 (0.52) HSD17B10MAPTKDM4EMAPK10SMN1; 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-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