SCHEMBL7651132

SCHEMBL7651132

COc1ccc(Cn2c(=O)c3nccnc3n(CCCCBr)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.50
TNF P01375 5/20 0.47
PDE1B Q01064 2/20 0.44
KDM4E B2RXH2 1/20 0.44
UBE2N P61088 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.40
ADORA1 P30542 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
SCHEMBL7655267 0.86 MAPT (0.69) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL4171480 0.84 MAPT (0.56) MAPTTHRBPDE1BKDM4EUBE2N
SCHEMBL7648583 0.79 HDAC1 (0.59) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL7651126 0.77 MAPT (0.72) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL7648500 0.76 HDAC1 (0.45) MAPTTHRBPDE1BKDM4EMEN1
SCHEMBL7648333 0.76 HDAC6 (0.48) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL7654277 0.76 CCR2 (0.45) MAPTTHRBRXFP1MEN1TSHR
SCHEMBL4174608 0.74 MAPT (0.51) MAPTTHRBUBE2NRXFP1ADORA3
SCHEMBL7650053 0.73 HDAC1 (0.52) MAPTKDM4ERXFP1
SCHEMBL7648551 0.73 HDAC1 (0.51) MAPTRXFP1

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