SCHEMBL6559033

SCHEMBL6559033

CC(C)c1n[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KDM4A O75164 1/20 0.39
GFER P55789 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
PARP1 P09874 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KCNA5 P22460 1/20 0.37
NTSR1 P30989 1/20 0.36
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
SYK P43405 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6557082 0.85 PRMT5 (0.40) KDM4ELMNAKDM4AGFERL3MBTL1
SCHEMBL6557080 0.83 AGTR1 (0.39) KDM4ELMNAKDM4AGFERL3MBTL1
SCHEMBL6559444 0.75 KDM4E (0.48) KDM4ELMNAKDM4AGFERL3MBTL1
SCHEMBL6385861 0.71 BCHE (0.40) GFERCYP1A2BCHE
SCHEMBL6559029 0.70 SIGMAR1 (0.37) KDM4ACYP1A2BCHESYK
SCHEMBL5497821 0.70 SIGMAR1 (0.38) KDM4EGFERL3MBTL1POLBBCHE
SCHEMBL6385864 0.69 BCHE (0.40) KDM4APRMT5WDR77KCNA5MEN1
SCHEMBL5148538 0.69 KCNA5 (0.41) KDM4ELMNAKDM4AGFERL3MBTL1
SCHEMBL6557087 0.69 SIGMAR1 (0.42) MEN1KMT2ABCHETDP1
SCHEMBL6387369 0.69 CKS1B (0.39) GFERCYP1A2PARP1BCHE

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
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed