SCHEMBL7417569

SCHEMBL7417569

CCOc1ccccc1C(Br)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
PTPRC P08575 1/20 0.42
TP53 P04637 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PSIP1 O75475 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7416446 0.79 GLA (0.47) MEN1KMT2ANPC1L3MBTL1GLA
SCHEMBL8047365 0.72 ALDH1A1 (0.50) KMT2AL3MBTL1GLAPTPRCCTDSP1
SCHEMBL27890273 0.72 ALDH1A1 (0.50) KMT2AL3MBTL1GLAPTPRCCTDSP1
SCHEMBL18247354 0.70 HTR6 (0.66) MEN1KMT2ANPC1L3MBTL1GLA
Hydrochloric Acid SCHEMBL8053961 0.69 ADRA1D (0.47) MEN1KMT2AL3MBTL1GLAALDH1A1
SCHEMBL28023638 0.69 PSIP1 (0.50) ALDH1A1MAPTPSIP1ATMHSD17B10
SCHEMBL254754 0.68 ALDH1A1 (0.54) MEN1KMT2AL3MBTL1GLACTDSP1
SCHEMBL9197961 0.68 HTR6 (0.44) ALDH1A1MAPTPSIP1HSD17B10TDP1
SCHEMBL11603748 0.68 ALDH1A1 (0.54) KMT2AL3MBTL1GLAPTPRCCTDSP1
SCHEMBL9127430 0.68 L3MBTL1 (0.49) MEN1KMT2ANPC1L3MBTL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163214-A1 GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 Merck Frosst Canada & Co. (CA) 2001-12-19 EP disclosed
US-6225288-B1 IMPLICATED IN MODULATING APOPTOSIS; TREATMENT OF:CARDIAC AND CEREBRAL ISCHEMIA/REPERFUSION INJURY, SPINAL CORD INJURY AND ORGAN DAMAGE DURING TRANSPLANTATION, CHRONIC NEURODEGENERATIVE DISEASES, IMMUNODEFICIENCY, DIABETES, ALOPECIA, AGING MERK FROSST CANADA & CO. (CA) 2001-05-01 US disclosed
WO-2000055127-A1 GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 MERCK FROSST CANADA & CO. (CA) 2000-09-21 WO disclosed