SCHEMBL4047708

SCHEMBL4047708

Cc1ccc(S(=O)(=O)c2[nH]c3ccccc3c2-c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
POLB P06746 1/20 0.43
ELANE P08246 1/20 0.43
SLC6A4 P31645 1/20 0.43
PARP1 P09874 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
GAA P10253 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 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
SCHEMBL4044510 0.76 MAPT (0.46) CTSVCTSLPOLBPARP1MEN1
SCHEMBL3328845 0.73 L3MBTL1 (0.54) POLBSLC6A4MEN1KMT2A
SCHEMBL947462 0.69 MGAM (0.55) POLBGAAMGAMSIMGAM2
SCHEMBL982452 0.69 ELANE (0.65) CTSVCTSLPOLBELANESLC6A4
SCHEMBL28110480 0.69 CTSV (0.60) CTSVCTSLPOLBPARP1MEN1
SCHEMBL9085790 0.68 CDK4 (0.67) CTSVCTSLELANESLC6A4PARP1
SCHEMBL13302290 0.67 ELANE (0.54) CTSVCTSLPOLBELANESLC6A4
SCHEMBL30272742 0.67 CTSV (0.79) CTSVCTSLPOLBPARP1MEN1
SCHEMBL30272741 0.67 CTSV (0.79) CTSVCTSLPOLBPARP1MEN1
SCHEMBL30272743 0.67 CTSV (0.79) CTSVCTSLPOLBPARP1MEN1

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-2081892-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS Queen's University at Kingston (CA) 2009-07-29 EP disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 WO disclosed