SCHEMBL3531002

SCHEMBL3531002

CS(=O)(=O)c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 6/20 0.40
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
CCR2 P41597 2/20 0.35
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
THRA P10827 1/20 0.34
KIF18A Q8NI77 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8002521 0.82 KMT2A (0.43) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL6199512 0.78 L3MBTL1 (0.33)
SCHEMBL6971370 0.78 KMT2A (0.68) KMT2AMEN1POLBALDH1A1CA1
SCHEMBL9769366 0.77 PTGS2 (0.41) VCAM1KMT2AMEN1ALDH1A1TDP1
SCHEMBL58127 0.75 HSD17B10 (0.54) ALDH1A1TDP1HSD17B10
SCHEMBL57882 0.74 TSHR (0.40) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL2913624 0.73 KMT2A (0.70) KMT2AMEN1THRBPOLBALDH1A1
SCHEMBL2903043 0.73 L3MBTL1 (0.38) CA1CA2
SCHEMBL16961792 0.73 ALDH1A1 (0.40) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL6800906 0.72 TDP1 (0.38) KMT2AMEN1POLBALDH1A1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
CN-1391562-A Quinazoline derivatives as medicaments ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
US-4277559-A FOR MASKING UNWANTED BLUE ABSORPTION OF MAGENTA DYES WITHOUT PRODUCING EXCESSIVE FOG AGFA-GEVAERT N.V. (BE) 1981-07-07 US disclosed