SCHEMBL12486647

SCHEMBL12486647

N#C/C(=C/c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
HIF1A Q16665 1/20 0.66
FBP1 P09467 3/20 0.51
MAPT P10636 9/20 0.51
ALDH1A1 P00352 7/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 5/20 0.48
MAPK1 P28482 3/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
KIF20A O95235 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 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
SCHEMBL12486650 1.00 CYP1A2 (0.66) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL12487153 0.89 CYP1A2 (0.65) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL12487154 0.89 CYP1A2 (0.65) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL13485336 0.86 KIF20A (0.58) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL10389793 0.84 MAPT (0.55) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL10389792 0.84 MAPT (0.55) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL7811587 0.84 MAPT (0.55) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL1237210 0.84 MAPT (0.55) CYP1A2CYP3A4HIF1AFBP1MAPT
SCHEMBL9814800 0.84 CYP1A2 (0.64) CYP1A2CYP3A4HIF1AMAPTALDH1A1
SCHEMBL364138 0.83 MAPT (0.58) CYP1A2CYP3A4HIF1AFBP1MAPT

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