SCHEMBL18949028

SCHEMBL18949028

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL753972 0.85 MAPT (0.51) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL890090 0.85 MAPT (0.51) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL888846 0.82 MAPT (0.49) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL8908249 0.81 ALDH1A1 (0.50) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL8915578 0.81 MAPT (0.47) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL10077257 0.77 MAPT (0.44) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL4908474 0.73 MAPT (0.58) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL5372649 0.73 MAPT (0.58) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL5114155 0.71 ALDH1A1 (0.55) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL529767 0.71 TSHR (0.51) MAPTMAPK1TDP1CYP1A2CYP3A4

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed