SCHEMBL1867732

SCHEMBL1867732

COCCN1CCCC(CNc2ccc(S)cc2[N+](=O)[O-])C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HCAR3 P49019 1/20 0.39
BCL2 P10415 1/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
PRKCQ Q04759 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR4 Q13639 1/20 0.37
MAPK1 P28482 1/20 0.36
PTGER4 P35408 1/20 0.36
RAB9A P51151 1/20 0.36
SLC2A1 P11166 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL1700614 0.86 LMNA (0.50) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL1873173 0.82 MAPT (0.39) LMNAMEN1KMT2AALDH1A1HCAR3
SCHEMBL24283552 0.78 MAPT (0.55) MEN1KMT2APOLBALDH1A1HCAR3
SCHEMBL28153189 0.72 MAPT (0.47) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL1873077 0.72 KMT2A (0.47) MEN1KMT2APOLBALDH1A1HCAR3
SCHEMBL1700370 0.69 MAPT (0.46) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL1700636 0.69 KMT2A (0.52) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL21496893 0.68 HPGD (0.46) MEN1KMT2AALDH1A1HCAR3MAPT
SCHEMBL3762305 0.68 HPGD (0.58) LMNAMEN1KMT2AALDH1A1HCAR3
SCHEMBL28151931 0.67 ALOX12 (0.43) LMNAMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 WO disclosed