SCHEMBL7653567

SCHEMBL7653567

COC(=O)Cc1ccc2[nH]c(=O)n(Cc3ccc(OC)cc3)c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
GAA P10253 6/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 7/20 0.55
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HTR3A P46098 1/20 0.52
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6510914 0.84 KDM4E (0.65) KDM4EGAATP53ALDH1A1HTT
SCHEMBL6244847 0.83 KDM4E (0.66) KDM4EGAATP53ALDH1A1HTT
SCHEMBL7648334 0.82 KDM4E (0.72) KDM4EGAATP53ALDH1A1HTT
SCHEMBL7649819 0.82 KDM4E (0.72) KDM4EGAATP53ALDH1A1HTT
SCHEMBL6530068 0.82 MAPT (0.58) KDM4EGAATP53ALDH1A1HTT
SCHEMBL7651681 0.81 KDM4E (0.60) KDM4EGAATP53ALDH1A1HTT
SCHEMBL17242517 0.80 KDM4E (0.76) KDM4EGAATP53ALDH1A1HTT
SCHEMBL6471343 0.79 MAPT (0.75) KDM4EGAATP53ALDH1A1HTT
SCHEMBL7593290 0.78 MEN1 (0.77) KDM4EGAATP53ALDH1A1HTT
SCHEMBL31324183 0.78 KDM4E (0.60) KDM4EGAAALDH1A1L3MBTL1HSD17B10

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