SCHEMBL6557080

SCHEMBL6557080

CCCc1n[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP1A2 P05177 1/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
KDM4A O75164 1/20 0.37
GFER P55789 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSK P43235 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 1/20 0.35
SYK P43405 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34

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 0.92 PRMT5 (0.40) AGTR1AGTR2PRMT5WDR77CYP1A2
SCHEMBL6559033 0.83 KDM4E (0.40) PRMT5WDR77CYP1A2PARP1KDM4E
SCHEMBL6558971 0.76 KDM4E (0.44) AGTR1AGTR2PRMT5WDR77CYP1A2
SCHEMBL6558942 0.76 KCNN4 (0.39) PRMT5KDM4ELMNAGFERHSD17B10
SCHEMBL5497821 0.74 SIGMAR1 (0.38) KDM4EGFERL3MBTL1NPSR1BCHE
SCHEMBL6385861 0.71 BCHE (0.40) CYP1A2GFERNPSR1BCHESIGMAR1
SCHEMBL6557087 0.71 SIGMAR1 (0.42) NPSR1BCHESIGMAR1
SCHEMBL6559029 0.70 SIGMAR1 (0.37) CYP1A2KDM4ABCHESYKSIGMAR1
SCHEMBL6557081 0.70 NPSR1 (0.43) L3MBTL1NPSR1BCHESIGMAR1
SCHEMBL6557414 0.70 MTNR1A (0.40) CYP1A2HSD17B10ALDH1A1

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