SCHEMBL14636147

SCHEMBL14636147

CCCN1C(=O)c2cccc3c(N)c(S(=O)(=O)O)cc(c23)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 2/20 0.63
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 1/20 0.48
BRD4 O60885 6/20 0.47
USP2 O75604 2/20 0.46
ATM Q13315 2/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
CYP1B1 Q16678 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
TLR9 Q9NR96 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
RGS12 O14924 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DYRK3 O43781 1/20 0.42

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
SCHEMBL14635686 0.90 CLTC (0.76) CLTCMEN1KMT2ABRD4USP2
SCHEMBL14636649 0.88 CLTC (0.57) CLTCMEN1KMT2AMAPK1L3MBTL1
SCHEMBL14636449 0.82 CLTC (0.66) CLTCMEN1KMT2AMAPK1USP2
SCHEMBL12559609 0.81 CLTC (0.49) CLTCMEN1KMT2AMAPK1L3MBTL1
SCHEMBL9352299 0.78 ALDH1A1 (0.54) CLTCMEN1KMT2AL3MBTL1RAB9A
SCHEMBL29365854 0.78 ALDH1A1 (0.54) CLTCMEN1KMT2AL3MBTL1RAB9A
SCHEMBL24270351 0.76 HTT (0.64) CLTCMEN1KMT2AMAPK1L3MBTL1
SCHEMBL9437193 0.75 KMT2A (0.78) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL13428204 0.75 CLTC (0.47) CLTCMEN1KMT2AMAPK1L3MBTL1
SCHEMBL11769544 0.74 TYMS (0.44) CLTCMAPK1ALDH1A1CYP1A2

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