SCHEMBL6509396

SCHEMBL6509396

NS(=O)(=O)c1cccc(-n2nnnc2SCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.66
PKM P14618 2/20 0.60
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 2/20 0.57
ATM Q13315 1/20 0.57
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 4/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL6510037 0.87 ALDH1A1 (0.64) ALDH1A1PKMTDP1MAPK1ATM
SCHEMBL8186954 0.81 ALDH1A1 (1.00) ALDH1A1PKMTDP1MAPK1ATM
SCHEMBL14133293 0.74 MEN1 (0.77) ALDH1A1PKMTDP1MAPK1ATM
SCHEMBL14498650 0.73 LMNA (0.54) ALDH1A1PKMHPGDL3MBTL1LMNA
SCHEMBL7932484 0.72 ALDH1A1 (0.71) ALDH1A1PKMTDP1MAPK1ATM
SCHEMBL11872723 0.72 ALDH1A1 (0.81) ALDH1A1PKMTDP1MAPK1ATM
SCHEMBL23440772 0.72 ALDH1A1 (0.66) ALDH1A1PKMTDP1MAPK1ATM
SCHEMBL30408335 0.72 ALDH1A1 (0.66) ALDH1A1PKMTDP1MAPK1ATM
SCHEMBL17153746 0.72 PKM (0.49) ALDH1A1PKMHPGDL3MBTL1LMNA
SCHEMBL24019599 0.72 HPGD (1.00) ALDH1A1TDP1MAPK1ATMHPGD

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
US-20050247237-A1 Carbon material DEGUSSA AG (DE) 2005-11-10 US disclosed
EP-1586607-A1 Carbon material Degussa AG (DE) 2005-10-19 EP disclosed