SCHEMBL2408475

SCHEMBL2408475

NC(=O)c1ccccc1S(=O)(=O)c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.48
CD38 P28907 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.43
PKM P14618 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 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
SCHEMBL1957524 0.91 MAPT (0.47) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL30074947 0.89 KMT2A (0.47) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL1960255 0.89 KMT2A (0.47) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL29750920 0.89 MAPT (0.45) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL1957964 0.80 BCL2 (0.43) MAPTMAPK1
SCHEMBL1541487 0.79 MAPT (0.64) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL1957094 0.79 KDM4E (0.55) MAPTSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL27202085 0.77 BCL2L1 (0.59) KMT2AMEN1
SCHEMBL3997877 0.77 PKM (0.53) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL14655243 0.77 MAPT (0.59) MAPTALDH1A1HTTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP claimed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO claimed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed