SCHEMBL16654615

SCHEMBL16654615

Cc1c[nH]c(=O)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MGMT P16455 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14228268 0.80 MGMT (0.48) POLBMGMTLMNAGAAL3MBTL1
SCHEMBL9007594 0.77 MGMT (0.50) POLBMGMTLMNAGAAL3MBTL1
SCHEMBL12253970 0.75 PTPN1 (0.47) MGMTL3MBTL1MEN1KMT2AMAPT
SCHEMBL25037399 0.74 PIN1 (0.45) POLBMGMTLMNAGAAMEN1
SCHEMBL14199920 0.74 GLRA1 (0.46) POLBMGMTLMNAGAAMEN1
SCHEMBL7793968 0.72 MEN1 (0.47) POLBMGMTMEN1KMT2AMAPT
SCHEMBL31440585 0.72 MAPT (0.53) LMNAMEN1KMT2AMAPTCYP19A1
SCHEMBL8903443 0.72 MAPT (0.49) MGMTNSD2ABL1PPARGRIN1
SCHEMBL12253971 0.71 ALDH1A1 (0.46) POLBL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL647866 0.71 TDP1 (0.56) MGMTL3MBTL1MEN1KMT2AMAPT

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
EP-3057586-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2016-08-24 EP disclosed
WO-2015058160-A1 BROMODOMAIN INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-04-23 WO disclosed