SCHEMBL7651126

SCHEMBL7651126

COc1ccc(Cn2c(=O)c3cccnc3n(CCCCl)c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
THRB P10828 3/20 0.72
RXFP1 Q9HBX9 4/20 0.60
TP53 P04637 2/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
P2RX4 Q99571 1/20 0.47

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
SCHEMBL7655267 0.90 MAPT (0.69) MAPTTHRBRXFP1TP53PTGDR2
SCHEMBL7652274 0.85 P2RX4 (0.61) MAPTTHRBRXFP1TP53MEN1
SCHEMBL7653389 0.81 P2RX4 (0.60) MAPTTHRBRXFP1TP53MEN1
SCHEMBL7652923 0.81 P2RX4 (0.58) MAPTTHRBRXFP1TP53MEN1
SCHEMBL7651132 0.77 MAPT (0.50) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL14224040 0.77 MAPT (0.60) MAPTTHRBRXFP1TP53PTGDR2
SCHEMBL1523317 0.76 MAPT (0.59) MAPTTHRBRXFP1TP53PTGDR2
SCHEMBL27840298 0.76 P2RX4 (0.62) MAPTTHRBRXFP1PTGDR2MEN1
SCHEMBL5871817 0.75 MAPT (0.61) MAPTTHRBRXFP1TP53PTGDR2
SCHEMBL4851291 0.75 MAPT (0.58) MAPTTHRBRXFP1TP53PTGDR2

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