SCHEMBL12487115

SCHEMBL12487115

COc1ccc(OC)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 4/20 0.51
NQO2 P16083 2/20 0.50
NQO1 P15559 1/20 0.50
THRB P10828 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
MITF O75030 1/20 0.45
MAPK1 P28482 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL12487118 1.00 TLR9 (0.58) TLR9MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28111449 0.86 NQO2 (0.64) MEN1KMT2AMAPTLMNANQO2
SCHEMBL12487052 0.82 MAPT (0.56) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL10389445 0.82 NQO2 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL10389790 0.82 NQO2 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12487051 0.82 MAPT (0.56) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1773028 0.82 NQO2 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL10389789 0.82 NQO2 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL11833187 0.81 MAPT (0.59) MEN1KMT2AMAPTSMN1; SMN2NQO2
SCHEMBL19436965 0.80 TLR9 (0.59) TLR9MEN1KMT2AMAPTSMN1; SMN2

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