SCHEMBL7651124

SCHEMBL7651124

O=c1c2ccccc2n(CCCCBr)c(=O)n1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.68
MAPK8 P45983 2/20 0.52
MAPK9 P45984 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
HTR7 P34969 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL22201345 0.78 PGR (0.72) PGRMAPK8MAPK9SMN1; SMN2KMT2A
SCHEMBL10760314 0.77 TSHR (0.56) PGRMAPK1KDM4E
SCHEMBL6977516 0.76 PGR (0.58) PGRSMN1; SMN2KMT2AMAPK1ALDH1A1
SCHEMBL8831732 0.76 RORA (0.69) PGRALDH1A1FABP4FABP5
SCHEMBL7655121 0.76 NPSR1 (0.58) SMN1; SMN2KMT2APOLBMEN1ALDH1A1
SCHEMBL5036947 0.75 TNF (0.62) PGRMAPK1ALDH1A1KDM4E
SCHEMBL6967657 0.75 PGR (0.57) PGRMAPK8MAPK9SMN1; SMN2KMT2A
SCHEMBL351619 0.75 FABP4 (0.58) FABP4FABP5
SCHEMBL30479089 0.75 FABP4 (0.58) FABP4FABP5
SCHEMBL22201332 0.75 PGR (0.64) PGRMAPK8MAPK9SMN1; SMN2KMT2A

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