SCHEMBL9978320

SCHEMBL9978320

COC1CCC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1.NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
PKM P14618 4/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
BRD4 O60885 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
VCAM1 P19320 1/20 0.41
PTGER4 P35408 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
SCHEMBL16817147 1.00 MAPT (0.49) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL1958921 1.00 MAPT (0.49) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL1811004 0.94 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL31286223 0.94 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL523824 0.94 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL523822 0.94 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL1700200 0.86 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL25170409 0.85 NPY5R (0.37) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL25307084 0.84 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL25306217 0.84 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 EP disclosed
EP-3656771-A1 PROCESS FOR THE PREPARATION OF A SYNTHETIC INTERMEDIATE FOR APOPTOSIS-INDUCING AGENTS AbbVie Ireland Unlimited Company (IE) 2020-05-27 EP disclosed
EP-3312178-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2018-04-25 EP disclosed
EP-3091017-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-09 EP disclosed
EP-2575463-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-03-30 EP disclosed
EP-2576546-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE BAHAMAS LTD (BS) 2015-07-22 EP disclosed
EP-2435432-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE BAHAMAS LTD (BS) 2015-06-24 EP disclosed
EP-2575463-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2011150016-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed