SCHEMBL7648481

SCHEMBL7648481

CCOC(=O)C(C)(C)n1c(=O)c2cc([N+](=O)[O-])ccc2n(CCCCBr)c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ELANE P08246 4/20 0.40
LMNA P02545 3/20 0.40
F2 P00734 3/20 0.39
PLAU P00749 3/20 0.39
CTRB1 P17538 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
TDP2 O95551 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7651232 0.86 RORA (0.41) ELANELMNAMEN1KMT2AALDH1A1
SCHEMBL7654237 0.85 PER2 (0.38) ELANELMNAALDH1A1
SCHEMBL7653483 0.85 ALDH1A1 (0.44) LMNAALDH1A1
SCHEMBL7651785 0.83 TNF (0.48) MAPTELANELMNATDP1CYP1A2
SCHEMBL7655134 0.82 TNF (0.51) LMNAALDH1A1
SCHEMBL7649601 0.81 ALDH1A1 (0.37) LMNAALDH1A1
SCHEMBL7654850 0.81 ALDH1A1 (0.50) MAPTLMNAMAPK1ALDH1A1
SCHEMBL7651184 0.81 ALDH1A1 (0.50) MAPTLMNAMAPK1ALDH1A1
SCHEMBL7658920 0.79 BCHE (0.53) LMNA
SCHEMBL7653084 0.79 TNF (0.52) LMNAALDH1A1

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