SCHEMBL19956882

SCHEMBL19956882

N[S+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.53
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL10505223 0.84 VCAM1 (0.51) VCAM1TDP1TSHRMAPK1NPBWR1
SCHEMBL2080018 0.82 VCAM1 (0.50) VCAM1TDP1MAPTALDH1A1TSHR
SCHEMBL23507272 0.79 TSHR (0.49) VCAM1TDP1MAPTALDH1A1MEN1
SCHEMBL19145140 0.79 ALDH1A1 (0.55) VCAM1TDP1MAPTALDH1A1MEN1
SCHEMBL9808913 0.78 VCAM1 (0.51) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL9808946 0.77 VCAM1 (0.45) VCAM1TDP1MAPTALDH1A1MEN1
SCHEMBL9808949 0.77 VCAM1 (0.45) VCAM1TDP1MAPTALDH1A1MEN1
SCHEMBL27703189 0.75 ALDH1A1 (0.50) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL10505466 0.74 HSD17B10 (0.45) VCAM1TDP1MAPTALDH1A1MEN1
SCHEMBL9808910 0.74 MAPT (0.48) VCAM1TDP1MAPTALDH1A1MEN1

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-3954687-A1 PROCESSES AND INTERMEDIATES USEFUL IN THE PREPARATION OF AN APOPTOSIS-INDUCING AGENT AbbVie Ireland Unlimited Company (IE) 2022-02-16 EP disclosed
EP-3569588-A1 PROCESS FOR PREPARING A SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF AN APOPTOSIS-INDUCING AGENT AbbVie Inc. (US) 2019-11-20 EP disclosed
EP-2970263-B1 PROCESSES FOR THE PREPARATION OF AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2018-05-09 EP disclosed
EP-3293185-A1 PROCESSES FOR THE PREPARATION OF AN APOPTOSIS-INDUCING AGENT AbbVie Inc. (US) 2018-03-14 EP disclosed