SCHEMBL28296290

SCHEMBL28296290

O=C(c1ccccc1)c1ccc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.58
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
PHGDH O43175 1/20 0.52
HCAR3 P49019 1/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP7 P55210 1/20 0.48
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MAPK14 Q16539 3/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
AR P10275 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL6652722 0.87 PHGDH (0.64) VCAM1MAPK1L3MBTL1PHGDHHCAR3
SCHEMBL6651601 0.85 KMT2A (0.59) VCAM1MAPK1L3MBTL1HCAR3MEN1
SCHEMBL6653114 0.84 MEN1 (0.56) VCAM1MAPK1L3MBTL1PHGDHHCAR3
SCHEMBL3914644 0.83 MAPK1 (0.71) VCAM1MAPK1L3MBTL1PHGDHHCAR3
SCHEMBL31237080 0.82 KMT2A (0.57) L3MBTL1HCAR3MEN1KMT2ATDP1
SCHEMBL6656377 0.81 MEN1 (0.58) VCAM1MAPK1L3MBTL1PHGDHHCAR3
SCHEMBL4281287 0.80 HCAR3 (0.79) VCAM1MAPK1L3MBTL1HCAR3MEN1
SCHEMBL14092704 0.80 VCAM1 (0.53) VCAM1MAPK1PHGDHHCAR3KMT2A
SCHEMBL3253899 0.80 L3MBTL1 (0.77) MAPK1L3MBTL1HCAR3MEN1KMT2A
SCHEMBL4930639 0.79 L3MBTL1 (0.62) MAPK1L3MBTL1PHGDHMEN1KMT2A

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
CN-109761880-A The synthetic method of Carprofen and its intermediate 王美妮 2019-05-17 CN disclosed
CN-109761881-A The synthetic method of Carprofen and its intermediate 王美妮 2019-05-17 CN disclosed