SCHEMBL10082091

SCHEMBL10082091

COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
MAPK1 P28482 2/20 0.68
LMNA P02545 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 3/20 0.57
HTT P42858 2/20 0.54
SLC6A5 Q9Y345 1/20 0.52
KMT2A Q03164 2/20 0.51
EPAS1 Q99814 1/20 0.50
MEN1 O00255 1/20 0.49
HIF1A Q16665 1/20 0.49
RAB9A P51151 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
SCHEMBL12691849 0.93 TSHR (0.70) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL899570 0.91 LMNA (0.67) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL899837 0.90 TSHR (0.56) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL898748 0.89 LMNA (0.57) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL899632 0.89 LMNA (0.57) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL10082093 0.89 LMNA (0.57) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL17461647 0.89 ALDH1A1 (0.54) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL899823 0.89 TSHR (0.57) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL898997 0.87 LMNA (0.58) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL899746 0.87 LMNA (0.55) TSHRMAPK1LMNASMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621920-B1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2016-01-27 EP disclosed
US-20140011700-A1 THREE-DIMENSIONAL STRUCTURE OF H1N1 NUCLEOPROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed