SCHEMBL995027

SCHEMBL995027

NCC(C(=O)O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 5/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HDAC4 P56524 1/20 0.49
KCNH2 Q12809 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL995024 1.00 ATM (0.58) ATMSIGMAR1ALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL10276205 0.98 ATM (0.57) ATMSIGMAR1ALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL10276210 0.98 ATM (0.57) ATMSIGMAR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL995762 0.87 LMNA (0.54) ATMALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL995204 0.87 MEN1 (0.59) ATMKMT2AMEN1
SCHEMBL995203 0.87 MEN1 (0.59) ATMKMT2AMEN1
SCHEMBL995763 0.87 LMNA (0.54) ATMALDH1A1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL10275819 0.86 MEN1 (0.57) ATMKMT2AMEN1
Hydrochloric Acid SCHEMBL14245412 0.86 LMNA (0.53) ATMALDH1A1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL14245410 0.86 LMNA (0.53) ATMALDH1A1SMN1; SMN2KMT2ALMNA

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-2801568-A1 Benzene-sulphonamide compounds, method for synthesising and use in medicine and in cosmetics Galderma Research & Development (FR) 2014-11-12 EP disclosed
EP-2448920-B1 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine GALDERMA RES & DEV (FR) 2014-08-13 EP disclosed
EP-2448920-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2012-05-09 EP disclosed
WO-2011001089-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-06 WO disclosed