SCHEMBL12487154

SCHEMBL12487154

N#CC(=Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
HIF1A Q16665 1/20 0.65
ALDH1A1 P00352 8/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 1/20 0.56
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 2/20 0.50
FBP1 P09467 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 6/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CCR6 P51684 1/20 0.49
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
KIF20A O95235 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
SCHEMBL12487153 1.00 CYP1A2 (0.65) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486647 0.89 CYP1A2 (0.66) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486650 0.89 CYP1A2 (0.66) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL13485336 0.79 KIF20A (0.58) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL623482 0.79 ALDH1A1 (0.53) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL623481 0.79 ALDH1A1 (0.53) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486817 0.79 CYP1A2 (1.00) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL12486820 0.79 CYP1A2 (1.00) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL364138 0.77 MAPT (0.58) CYP1A2CYP3A4HIF1AALDH1A1MAPT
SCHEMBL364137 0.77 MAPT (0.58) 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