SCHEMBL12486817

SCHEMBL12486817

Cc1ccc(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
HIF1A Q16665 1/20 1.00
ALDH1A1 P00352 9/20 0.60
MAPT P10636 5/20 0.60
RAB9A P51151 2/20 0.60
NFE2L2 Q16236 1/20 0.57
LMNA P02545 5/20 0.56
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
GLO1 Q04760 2/20 0.52
HPGD P15428 2/20 0.50
FBP1 P09467 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL12486820 1.00 CYP1A2 (1.00) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486911 0.84 CYP1A2 (0.72) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486909 0.84 CYP1A2 (0.72) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL4998958 0.82 HIF1A (0.69) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL4998964 0.82 HIF1A (0.69) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486647 0.80 CYP1A2 (0.66) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486650 0.80 CYP1A2 (0.66) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL11565020 0.79 CYP1A2 (0.65) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12487153 0.79 CYP1A2 (0.65) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12487154 0.79 CYP1A2 (0.65) CYP1A2CYP3A4HIF1AALDH1A1MAPT

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