SCHEMBL7651785

SCHEMBL7651785

CCOC(=O)CCCCn1c(=O)c2cc([N+](=O)[O-])ccc2n(CCCCBr)c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ELANE P08246 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 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
SCHEMBL7648268 0.85 TNF (0.53) TNFLMNA
SCHEMBL7651102 0.84 TNF (0.52) TNFALDH1A1SMN1; SMN2
SCHEMBL7650610 0.83 TNF (0.51) TNFMAPTKDM4EALDH1A1
SCHEMBL7648481 0.83 MAPT (0.46) MAPTALDH1A1TDP1ELANECYP1A2
SCHEMBL7648315 0.82 TNF (0.50) TNFMAPTKDM4EALDH1A1
SCHEMBL14266807 0.82 MAPT (0.47) TNFMAPTKDM4EIRAK4ALDH1A1
SCHEMBL7649768 0.81 TNF (0.70) TNFKDM4EALDH1A1
SCHEMBL7654430 0.81 TNF (0.70) TNFKDM4EALDH1A1
SCHEMBL352528 0.80 MAPT (0.51) TNFMAPTKDM4EIRAK4ALDH1A1
SCHEMBL7651129 0.78 CA12 (0.51) MAPTKDM4EALDH1A1SMN1; SMN2LMNA

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