SCHEMBL4950459

SCHEMBL4950459

CC(=O)Nc1cccc(-c2ccc(-c3ccccc3NS(=O)(=O)C(C)C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.54
KCNH2 Q12809 1/20 0.53
ADAMTS4 O75173 1/20 0.51
PIP4K2A P48426 1/20 0.50
PIP4K2B P78356 1/20 0.50
FYN P06241 1/20 0.47
USP7 Q93009 1/20 0.47
KDM1A O60341 1/20 0.46
CYP17A1 P05093 5/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NQO2 P16083 2/20 0.45
CHEK2 O96017 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4950018 0.81 TDP1 (0.51) SMN1; SMN2ALOX5APFEN1
SCHEMBL4950128 0.81 GRIA2 (0.52) GRIA2KCNH2ADAMTS4PIP4K2APIP4K2B
SCHEMBL6513336 0.78 MCOLN3 (0.55) KDM1AALDH1A1SMN1; SMN2ALOX5APFEN1
SCHEMBL4951169 0.76 GRIA4 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4952483 0.75 KDM1A (0.55) GRIA2KCNH2KDM1A
SCHEMBL3786463 0.75 NQO2 (0.73) CYP17A1CYP11B1CYP11B2NQO2MEN1
SCHEMBL1677246 0.74 KDM1A (0.64) GRIA2KCNH2KDM1A
SCHEMBL8577619 0.73 SMN1; SMN2 (0.70) PIP4K2APIP4K2BCYP17A1CYP11B1CYP11B2
SCHEMBL4374171 0.73 ALOX5AP (0.52) KDM1AMEN1KMT2ANPC1ALDH1A1
SCHEMBL12919978 0.73 CYP17A1 (0.60) GRIA2ADAMTS4PIP4K2APIP4K2BCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed