SCHEMBL4621382

SCHEMBL4621382

NS(=O)(=O)c1ccc(C(CCCl)CCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.47
CA9 Q16790 14/20 0.47
CA1 P00915 14/20 0.47
CA12 O43570 13/20 0.47
CA7 P43166 9/20 0.47
CA5A P35218 8/20 0.47
CA5B Q9Y2D0 8/20 0.47
CA14 Q9ULX7 7/20 0.47
CA6 P23280 7/20 0.47
CA4 P22748 7/20 0.47
CA13 Q8N1Q1 3/20 0.47
CA3 P07451 3/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AGO2 Q9UKV8 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41
PLA2G7 Q13093 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
SCHEMBL898460 0.81 ALDH1A1 (0.46) CA2CA9CA1CA12CA7
SCHEMBL9450366 0.78 CA2 (0.56) CA2CA9CA1CA12CA7
SCHEMBL38651153 0.77 NR1I2 (0.60) CA2CA9CA1CA12CA7
SCHEMBL20032091 0.76 CA2 (0.55) CA2CA9CA1CA12CA7
SCHEMBL31010761 0.75 NR1I2 (0.63) CA2CA9CA1CA12CA7
SCHEMBL20372807 0.74 NR1I2 (0.54) CA2CA9CA1CA12CA7
SCHEMBL3091350 0.73 CA2 (0.56) CA2CA9CA1CA12CA7
SCHEMBL18713704 0.72 CA2 (0.59) CA2CA9CA1CA12CA14
SCHEMBL28246182 0.72 CA2 (0.51) CA2CA9CA1CA12CA7
SCHEMBL14043148 0.71 CA2 (0.54) CA2CA9CA1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789699-A1 SPIRO HETEROCYCLE-IMIDAZO(1,2-a]INDENO(1,2-e]PYRAZINE]-4'-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-08-20 EP claimed
WO-1996014318-A1 SPIRO[HETEROCYCLE-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE]-4'-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1996-05-17 WO claimed
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
WO-2006106241-A1 PIPERAZINE DERIVATIVES AND USE THEREOF AS SEROTONIN REUPTAKE INHIBITORS OR AS NEUROKININ ANTAGONISTS LES LABORATOIRES SERVIER (FR) 2006-10-12 WO disclosed