SCHEMBL20799607

SCHEMBL20799607

CC(C)CCNC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
MAPT P10636 5/20 0.54
HTT P42858 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
CASR P41180 1/20 0.49
POLB P06746 3/20 0.49
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.45
CYP3A4 P08684 1/20 0.45
DDX3X O00571 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.43
CNR1 P21554 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
SCHEMBL7918648 0.82 HTT (0.50) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL7915297 0.81 KMT2A (0.47) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL3071598 0.79 GAA (0.80) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL20799602 0.79 CASR (0.53) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL20799618 0.78 KMT2A (0.42) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL20323996 0.75 KMT2A (0.54) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL16281760 0.74 FPR2 (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL16281745 0.74 FPR2 (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL3090261 0.73 KMT2A (0.56) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL16281759 0.73 ANPEP (0.46)

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-2811295-B1 SEPARATING AGENT AND METHOD FOR MANUFACTURING SAME SHISEIDO CO LTD (JP) 2019-03-13 EP disclosed