SCHEMBL7651097

SCHEMBL7651097

O=c1[nH]c(=O)n(CCCCBr)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
PARP1 P09874 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL7650556 0.90 PARP1 (0.43) MAPTPARP1CA12CA9MEN1
SCHEMBL17433951 0.81 KMT2A (0.60) MAPTPOLBATMPARP1CA12
SCHEMBL7656522 0.80 PARP1 (0.44) MAPTPOLBPARP1KMT2ALMNA
SCHEMBL7653099 0.80 HDAC1 (0.43)
SCHEMBL20567992 0.76 MAPT (0.57) MAPTPARP1CA12CA9MEN1
SCHEMBL7650175 0.76 PARP1 (0.50) MAPTPOLBPARP1LMNATDP1
SCHEMBL7301646 0.76 PARP1 (0.59) PARP1SIGMAR1
SCHEMBL4062222 0.74 MAPT (0.50) MAPTPOLBATMMEN1KMT2A
SCHEMBL7648546 0.74 ALDH1A1 (0.51) MAPTPARP1MEN1KMT2ATDP1
SCHEMBL8806592 0.73 PARP1 (0.55) MAPTPARP1CA12CA9MEN1

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