SCHEMBL12486396

SCHEMBL12486396

COc1ccccc1/C(C#N)=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
HIF1A Q16665 1/20 0.64
MAPT P10636 7/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
GAA P10253 1/20 0.61
ALDH1A1 P00352 6/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 5/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TRPV1 Q8NER1 1/20 0.50
HTT P42858 1/20 0.49
HSP90AA1 P07900 1/20 0.48
CCR6 P51684 1/20 0.48
GLO1 Q04760 1/20 0.48
HPGD P15428 2/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47

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
SCHEMBL12486398 1.00 CYP1A2 (0.64) CYP1A2CYP3A4HIF1AMAPTKMT2A
SCHEMBL12486667 0.87 MAPT (0.62) CYP1A2CYP3A4HIF1AMAPTKMT2A
SCHEMBL4998958 0.83 HIF1A (0.69) CYP1A2CYP3A4HIF1AMAPTKMT2A
SCHEMBL4998964 0.83 HIF1A (0.69) CYP1A2CYP3A4HIF1AMAPTKMT2A
SCHEMBL9434871 0.80 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL9434867 0.80 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL12486820 0.78 CYP1A2 (1.00) CYP1A2CYP3A4HIF1AMAPTKMT2A
SCHEMBL12486817 0.78 CYP1A2 (1.00) CYP1A2CYP3A4HIF1AMAPTKMT2A
SCHEMBL14956145 0.77 KIF20A (0.63) CYP1A2CYP3A4HIF1AMAPTKMT2A
SCHEMBL13035556 0.77 KIF20A (0.63) CYP1A2CYP3A4HIF1AMAPTKMT2A

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
US-9295754-B2 Noggin inhibitory compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2016-03-29 US claimed
EP-2678050-B1 NOGGIN BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO UNIV EMORY (US) 2020-10-14 EP disclosed
US-9295754-B2 Noggin inhibitory compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2016-03-29 US disclosed
US-20130337082-A1 NOGGIN INHIBITORY COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-12-19 US disclosed
WO-2012116135-A9 NOGGIN BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-01-10 WO disclosed
WO-2012116135-A2 NOGGIN BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-08-30 WO disclosed