SCHEMBL9799751

SCHEMBL9799751

CN(C(=O)OC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR3 P49019 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL3378050 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL22439815 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AATMMEN1SMN1; SMN2
SCHEMBL601392 0.79 ATM (0.46) ALDH1A1KMT2AATMMEN1MAPT
SCHEMBL601391 0.79 ATM (0.46) ALDH1A1KMT2AATMMEN1MAPT
Hydrochloric Acid SCHEMBL11248291 0.77 ATM (0.45) ALDH1A1KMT2AATMMEN1MAPT
SCHEMBL6671813 0.77 NPSR1 (0.44) ALDH1A1ATMMAPTSMN1; SMN2POLB
SCHEMBL22726415 0.77 ALDH1A1 (0.46) ALDH1A1ATMMAPTSMN1; SMN2LMNA
SCHEMBL6671803 0.76 TSPO (0.46) ALDH1A1KMT2AATMMEN1MAPT
SCHEMBL1304855 0.75 STAT3 (0.45) ALDH1A1KMT2AMEN1MAPT
SCHEMBL11248272 0.74 HSD17B10 (0.44) ALDH1A1KMT2AATMMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277376-B1 AROMATIC AMIDE GROUPS-CONTAINING DIAMINES AND POLYMERS IN WHICH THESE DIAMINES ARE INCORPORATED AKZO N.V. (NL) 1991-02-27 EP disclosed
US-4980444-A Polyamides, polyureas, polyimides; heat resistance, melt processability, high strength fibers, films AKZO N.V. (NL) 1990-12-25 US disclosed
EP-0277376-A1 Aromatic amide groups-containing diamines and polymers in which these diamines are incorporated AKZO N.V. (NL) 1988-08-10 EP disclosed