SCHEMBL368127

SCHEMBL368127

CC1CSCCN1N=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.64
ALDH1A1 P00352 6/20 0.64
MITF O75030 3/20 0.52
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
CYP1A2 P05177 3/20 0.50
HIF1A Q16665 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 5/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
XBP1 P17861 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL368126 1.00 LMNA (0.64) LMNAALDH1A1MITFMAPTSMN1; SMN2
SCHEMBL12609083 0.81 LMNA (0.67) LMNAALDH1A1MITFMAPTSMN1; SMN2
Nifurtimox SCHEMBL60840 0.78 LMNA (1.00) LMNAALDH1A1MITFMAPTSMN1; SMN2
Nifurtimox SCHEMBL60839 0.78 LMNA (1.00) LMNAALDH1A1MITFMAPTSMN1; SMN2
Nifurtimox SCHEMBL1650162 0.78 LMNA (1.00) LMNAALDH1A1MITFMAPTSMN1; SMN2
Nifurtimox SCHEMBL9910611 0.78 LMNA (1.00) LMNAALDH1A1MITFMAPTSMN1; SMN2
SCHEMBL23003603 0.77 LMNA (0.78) LMNAALDH1A1MITFMAPTSMN1; SMN2
SCHEMBL23003602 0.77 LMNA (0.78) LMNAALDH1A1MITFMAPTSMN1; SMN2
Nifurtimox SCHEMBL4727154 0.72 LMNA (0.85) LMNAALDH1A1MITFMAPTSMN1; SMN2
Nifurtimox SCHEMBL2326415 0.71 LMNA (0.83) LMNAALDH1A1MITFMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593796-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO Auckland Uniservices Limited (NZ) 2013-05-22 EP disclosed
WO-2012008860-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO AUCKLAND UNISERVICES LIMITED (NZ) 2012-01-19 WO disclosed
EP-2392577-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2011-12-07 EP disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed