SCHEMBL7657940

SCHEMBL7657940

CCOC(=O)C(C)(C)n1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
LMNA P02545 1/20 0.41
PARP1 P09874 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
SCHEMBL7649595 0.84 KDM4E (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7649684 0.82 CA12 (0.51) CA12CA9ALDH1A1MEN1POLB
SCHEMBL7651842 0.82 CA12 (0.51) CA12CA9ALDH1A1POLBMAPT
SCHEMBL7651932 0.82 FEN1 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7652236 0.79 SMN1; SMN2 (0.55) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL7651738 0.78 SMN1; SMN2 (0.43) CA12CA9ALDH1A1MEN1POLB
SCHEMBL7653151 0.77 KDM4E (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7651849 0.77 MPO (0.38) ALDH1A1POLBKMT2AMAPTKDM4E
SCHEMBL7648344 0.75 CA9 (0.51) CA12CA9KDM4EGAA
SCHEMBL7651129 0.75 CA12 (0.51) CA12CA9ALDH1A1MEN1POLB

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