SCHEMBL481887

SCHEMBL481887

COc1ccccc1Nc1nc(-c2cccc(O)c2)ccc1N.COc1ccccc1Nc1nc(-c2cccc(O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 2/20 0.48
RAB9A P51151 1/20 0.48
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
CDK5 Q00535 2/20 0.44
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
CDK5R1 Q15078 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2209657 0.94 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL481932 0.89 MAPT (0.47) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL482356 0.77 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10711270 0.73 L3MBTL1 (0.67) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL481445 0.73 KMT2A (0.65) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL27539926 0.72 MAPK1 (0.64) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL31455503 0.70 ABCG2 (0.38) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL31455712 0.68 TSHR (0.42) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL31455452 0.68 ABCG2 (0.39) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL2464563 0.68 MEN1 (1.00) MAPTMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed