SCHEMBL7649673

SCHEMBL7649673

CCOC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.67
MAPK10 P53779 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 7/20 0.66
KDM4E B2RXH2 3/20 0.62
MAPK1 P28482 1/20 0.62
MPO P05164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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 1.00 HSD17B10 (0.67) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7654811 0.95 HSD17B10 (0.71) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7648358 0.90 KDM4E (0.67) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7651742 0.84 HSD17B10 (0.52) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7651736 0.83 HSD17B10 (0.52) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL13332558 0.83 CYP1A2 (0.62) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7649974 0.82 MAPK10 (0.55) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7650071 0.81 KDM4E (0.58) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL10830938 0.81 TNF (0.58) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7651129 0.80 CA12 (0.51) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E

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