SCHEMBL6973230

SCHEMBL6973230

[CH2]NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
POLB P06746 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 4/20 0.56
NPC1 O15118 2/20 0.54
MITF O75030 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.54
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53

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
SCHEMBL27815181 0.83 MAPT (0.67) CES1MEN1KMT2APOLBCA1
SCHEMBL28723007 0.83 MEN1 (0.82) CES1MEN1KMT2APOLBCA1
SCHEMBL296991 0.82 MEN1 (0.68) CES1MEN1KMT2APOLBCA1
SCHEMBL9848997 0.80 ALDH1A1 (0.62) CES1MEN1KMT2APOLBCA1
SCHEMBL8866584 0.80 CES1 (0.61) CES1MEN1KMT2APOLBCA1
SCHEMBL165760 0.80 TSHR (0.62) CES1MEN1KMT2APOLBCA1
Potassium Ion SCHEMBL10903588 0.80 CES1 (0.61) CES1MEN1KMT2APOLBCA1
SCHEMBL223451 0.80 MAPT (0.63) CES1MEN1KMT2APOLBCA1
SCHEMBL6465643 0.80 CES1 (0.61) CES1MEN1KMT2APOLBCA1
SCHEMBL1524805 0.79 MAPT (0.62) CES1MEN1KMT2APOLBCA1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed