SCHEMBL15740367

SCHEMBL15740367

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc3cc(Br)ccc3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TMEM97 Q5BJF2 6/20 0.32
SIRT6 Q8N6T7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CES2 O00748 1/20 0.31
ABCB11 O95342 1/20 0.31
GLA P06280 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL15740426 0.92 HRH3 (0.42) NPSR1HRH3TMEM97SIRT6MAPK1
SCHEMBL15740495 0.92 HRH3 (0.34) LMNASMN1; SMN2HTTHRH3TMEM97
SCHEMBL15740411 0.92 HRH3 (0.37) LMNASMN1; SMN2HTTHRH3TMEM97
SCHEMBL15740360 0.91 TMEM97 (0.36) LMNASMN1; SMN2HPGDHTTHRH3
SCHEMBL15740352 0.89 SIRT6 (0.41) LMNASMN1; SMN2HPGDHTTMEN1
SCHEMBL15740438 0.87 AR (0.35) HRH3ARCNR1CNR2MCHR1
SCHEMBL15740436 0.86 LMNA (0.36) LMNASMN1; SMN2HPGDHTTMEN1
SCHEMBL2126360 0.83 SERPINE1 (0.45) LMNASMN1; SMN2HPGDHTTMEN1
SCHEMBL2124155 0.83 SERPINE1 (0.37) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL2125848 0.83 SERPINE1 (0.37) LMNASMN1; SMN2HTTMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922845-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial, Inc. (US) 2015-09-30 EP disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed