SCHEMBL27909522

SCHEMBL27909522

COC(=O)n1c(C)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
ELANE P08246 2/20 0.41
CTRB1 P17538 2/20 0.41
KLKB1 P03952 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL29540947 0.85 MAPT (0.46) KMT2AMEN1RXFP1CYP19A1ALDH1A1
SCHEMBL5446082 0.85 MAPT (0.46) KMT2AMEN1RXFP1CYP19A1ALDH1A1
SCHEMBL6750910 0.85 GAA (0.46) KMT2AMEN1RXFP1PKMHTT
SCHEMBL6750905 0.84 CYP19A1 (0.49) KMT2AMEN1RXFP1PKMCYP19A1
SCHEMBL6747189 0.83 MEN1 (0.45) KMT2AMEN1RXFP1PKMCYP19A1
SCHEMBL27628310 0.83 CYP19A1 (0.45) KMT2AMEN1RXFP1PKMCYP19A1
SCHEMBL6482272 0.79 TUBB1 (0.46) KMT2AMEN1PKMHTTALDH1A1
SCHEMBL6750946 0.78 MEN1 (0.41) KMT2AMEN1RXFP1CYP19A1ALDH1A1
SCHEMBL6490943 0.77 CYP19A1 (0.43) KMT2AMEN1RXFP1HTTCYP19A1
SCHEMBL5113851 0.77 KMT2A (0.49) KMT2AMEN1RXFP1HTTCYP19A1

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-102971327-B There is the anti-inflammatory compound of multiple tyrosine-kinase enzyme inhibition activity and the pharmaceutical compositions containing these compounds KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-04-20 CN disclosed
CN-102971327-A Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases, and pharmaceutical composition containing same KOREA INST SCI & TECH 2013-03-13 CN disclosed