SCHEMBL9769536

SCHEMBL9769536

Nc1cccc(NC(=O)C2([N+](=O)[O-])C=CC=CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 3/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PTGS1 P23219 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9769549 0.74 ALDH1A1 (0.52) DDX3XALDH1A1SMN1; SMN2MAPTHDAC3
SCHEMBL8129773 0.70 MAPK1 (0.30) MAPK1
SCHEMBL28815353 0.70
SCHEMBL31030882 0.68
Hydrochloric Acid SCHEMBL31196609 0.68
SCHEMBL11333987 0.67 CES2 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL1415666 0.67 ALDH1A1 (0.60) DDX3XALDH1A1SMN1; SMN2MAPTHDAC3
SCHEMBL8061244 0.65 ALDH1A1 (0.52) DDX3XALDH1A1SMN1; SMN2MAPTHDAC3
SCHEMBL1657499 0.64 DDX3X (1.00) DDX3XALDH1A1SMN1; SMN2MAPTHDAC3
SCHEMBL30314470 0.64 DDX3X (1.00) DDX3XALDH1A1SMN1; SMN2MAPTHDAC3

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-5037964-A Dyes For Paper And Textiles SANDOZ LTD. (CH) 1991-08-06 US disclosed