SCHEMBL14635858

SCHEMBL14635858

COc1cc2c3c(cccc3c1)C(=O)N(Cc1ccc(N)cc1)C2=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.69
▸ CLTC Q00610 10/20 0.64
▸ RAD52 P43351 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CASP3 P42574 1/20 0.50

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
SCHEMBL14636204 0.85 CLTC (0.72) KDM4ECLTCNPSR1CA12CA1
SCHEMBL29226176 0.82 KDM4E (1.00) KDM4ECLTCNPSR1CA12CA1
SCHEMBL14636506 0.81 CLTC (0.67) KDM4ECLTCNPSR1CA12CA1
SCHEMBL14636119 0.78 CA12 (0.78) KDM4ECLTCRAD52NPSR1CA12
SCHEMBL14636024 0.78 CLTC (0.79) KDM4ECLTCNPSR1CA12CA1
SCHEMBL27169540 0.77 NPSR1 (0.73) KDM4ECLTCNPSR1CA12CA1
SCHEMBL29483205 0.77 CLTC (0.98) CLTCNPSR1CA12CA1CA2
SCHEMBL2365089 0.77 MPO (0.58) KDM4ECLTCNPSR1CA12CA1
SCHEMBL2365090 0.77 MPO (0.58) KDM4ECLTCNPSR1CA12CA1
SCHEMBL11435202 0.76 HEXA (0.71) KDM4ERAD52NPSR1MEN1ALDH1A1

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
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