SCHEMBL7914079

SCHEMBL7914079

CN(C)c1ccc(N(C)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 5/20 0.44
MAPK1 P28482 2/20 0.44
CA9 Q16790 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S1PR4 O95977 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL27659172 0.89 MEN1 (0.57) MAPTMEN1KMT2AHSD17B10TDP1
SCHEMBL7916053 0.84 ALDH1A1 (0.54) MAPTMEN1KMT2AHSD17B10MAPK1
SCHEMBL6689955 0.82 HPGD (0.53) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL1509290 0.81 HSD17B10 (0.54) MAPTMEN1KMT2AHSD17B10TDP1
Phosphine SCHEMBL28283987 0.80 HSD17B10 (0.52) MAPTMEN1KMT2AHSD17B10TDP1
Ammonia Solution, Strong SCHEMBL28268609 0.80 HSD17B10 (0.52) MAPTMEN1KMT2AHSD17B10TDP1
SCHEMBL3055253 0.76 TSHR (0.44) MEN1KMT2AHSD17B10TDP1TSHR
SCHEMBL2676616 0.76 HPGD (0.47) MAPTMEN1KMT2AHSD17B10TDP1
SCHEMBL27651310 0.76 HSD17B10 (0.52) MEN1KMT2AHSD17B10TDP1TSHR
SCHEMBL2676973 0.75 HPGD (0.46) MAPTMEN1KMT2AHSD17B10TDP1

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
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed