SCHEMBL9280995

SCHEMBL9280995

Cc1nc(C)c([N+](=O)[O-])c(-c2cccc3nonc23)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.41
MEN1 O00255 9/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP3 P42574 1/20 0.40
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
USP2 O75604 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ARNT P27540 4/20 0.36

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
SCHEMBL10939311 0.79 KMT2A (0.45) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14941196 0.74 LDHA (0.41) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL9281258 0.72 L3MBTL1 (0.51) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL9275026 0.69 MAPT (0.37) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL9279745 0.69 KDM4E (0.45) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6956189 0.69 TDP1 (0.53) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL6956134 0.69 TDP1 (0.53) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL9274355 0.68 MEN1 (0.41) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL28410859 0.68 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL9278847 0.68 KDM4E (0.52) KMT2AMEN1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411040-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION President and Fellows of Harvard College (US) 2018-12-12 EP disclosed
WO-2017136480-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-10 WO disclosed
EP-2646107-A2 AGENT DELIVERY SYSTEMS FOR SELECTIVE NEUROMODULATION Spinal Modulation Inc. (US) 2013-10-09 EP disclosed
WO-2012174537-A2 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-12-20 WO disclosed
WO-2012075337-A2 DIRECTED DELIVERY OF AGENTS TO NEURAL ANATOMY SPINAL MODULATION, INC. (US) 2012-06-07 WO disclosed
WO-2012050884-A2 CARDIAC GLYCOSIDES ARE POTENT INHIBITORS OF INTERFERON-BETA GENE EXPRESSION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-04-19 WO disclosed