SCHEMBL14636649

SCHEMBL14636649

Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)N(CCS)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 2/20 0.57
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
TLR9 Q9NR96 2/20 0.42
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
USP2 O75604 3/20 0.40
ATM Q13315 3/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP2D6 P10635 1/20 0.40
FTO Q9C0B1 1/20 0.40
PLK1 P53350 4/20 0.39
HEXA P06865 2/20 0.38
HEXB P07686 2/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14636147 0.88 CLTC (0.63) CLTCKEAP1NFE2L2TLR9MEN1
SCHEMBL14635686 0.85 CLTC (0.76) CLTCKEAP1NFE2L2MEN1KMT2A
SCHEMBL14636449 0.82 CLTC (0.66) CLTCMEN1KMT2AUSP2CYP1B1
SCHEMBL12559609 0.81 CLTC (0.49) CLTCKEAP1NFE2L2TLR9MEN1
SCHEMBL29365854 0.75 ALDH1A1 (0.54) CLTCKEAP1NFE2L2MEN1KMT2A
SCHEMBL9352299 0.75 ALDH1A1 (0.54) CLTCKEAP1NFE2L2MEN1KMT2A
SCHEMBL11769544 0.74 TYMS (0.44) CLTCALDH1A1MAPK1
SCHEMBL30608350 0.74 TYMS (0.44) CLTCALDH1A1MAPK1
SCHEMBL21404284 0.73 CLTC (0.40) CLTCMEN1KMT2ACYP2D6FTO
SCHEMBL13428204 0.73 CLTC (0.47) CLTCKEAP1NFE2L2MEN1KMT2A

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
WO-2013010218-A9 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-03-28 WO disclosed
WO-2013010218-A1 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-01-24 WO disclosed