SCHEMBL1960255

SCHEMBL1960255

NC(=O)c1ccccc1S(=O)(=O)c1ccc(NC[C@@H]2CCCOC2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 9/20 0.43
PKM P14618 4/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
HCAR3 P49019 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30074947 1.00 KMT2A (0.47) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL1957524 0.90 MAPT (0.47) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL2408475 0.89 MAPT (0.52) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL29750920 0.82 MAPT (0.45) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL1699969 0.81 MAPT (0.57) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL1700196 0.81 MAPT (0.57) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL1699967 0.81 MAPT (0.57) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL30075042 0.81 MAPT (0.57) KMT2AMEN1MAPTPKMMAPK1
SCHEMBL1957964 0.79 BCL2 (0.43) MAPTMAPK1
SCHEMBL30622006 0.79 BCL2L1 (0.54) KMT2AMEN1MAPTMAPK1ALDH1A1

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-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP claimed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO claimed