SCHEMBL6557082

SCHEMBL6557082

CCc1n[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP1A2 P05177 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KDM4A O75164 1/20 0.38
GFER P55789 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 1/20 0.36
SYK P43405 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 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
SCHEMBL6557080 0.92 AGTR1 (0.39) PRMT5WDR77CYP1A2PARP1KDM4E
SCHEMBL6559033 0.85 KDM4E (0.40) PRMT5WDR77CYP1A2PARP1KDM4E
SCHEMBL5497821 0.80 SIGMAR1 (0.38) KDM4EGFERL3MBTL1BCHECA1
SCHEMBL6558385 0.75 KCNN4 (0.38) PRMT5
SCHEMBL6385861 0.73 BCHE (0.40) CYP1A2GFERBCHEIDO1NAMPT
SCHEMBL6559029 0.72 SIGMAR1 (0.37) CYP1A2KDM4ABCHESYKIDO1
SCHEMBL6385864 0.71 BCHE (0.40) PRMT5WDR77KDM4ABCHEMEN1
SCHEMBL6557087 0.70 SIGMAR1 (0.42) BCHEMEN1KMT2AIDO1NAMPT
SCHEMBL6387369 0.70 CKS1B (0.39) CYP1A2PARP1GFERBCHEIDO1
SCHEMBL6557081 0.69 NPSR1 (0.43) L3MBTL1BCHEMEN1KMT2AIDO1

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