SCHEMBL14635686

SCHEMBL14635686

CCN1C(=O)c2cccc3c(N)c(S(=O)(=O)O)cc(c23)C1=O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 2/20 0.76
CYP1B1 Q16678 4/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
APAF1 O14727 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BRD4 O60885 10/20 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
SCHEMBL14636147 0.90 CLTC (0.63) CLTCCYP1B1MEN1USP2KMT2A
SCHEMBL14636649 0.85 CLTC (0.57) CLTCCYP1B1MEN1USP2KMT2A
SCHEMBL14636449 0.84 CLTC (0.66) CLTCCYP1B1MEN1USP2KMT2A
SCHEMBL9006326 0.83 CYP1B1 (0.61) CLTCCYP1B1MEN1USP2KMT2A
SCHEMBL29365854 0.80 ALDH1A1 (0.54) CLTCMEN1USP2KMT2AATM
SCHEMBL9352299 0.80 ALDH1A1 (0.54) CLTCMEN1USP2KMT2AATM
SCHEMBL12559609 0.78 CLTC (0.49) CLTCMEN1USP2KMT2AATM
SCHEMBL25520072 0.77 BRD4 (0.50) CLTCCYP1B1MEN1USP2KMT2A
SCHEMBL13428204 0.77 CLTC (0.47) CLTCMEN1USP2KMT2AKEAP1
SCHEMBL30608350 0.76 TYMS (0.44) CLTCALDH1A1

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