SCHEMBL2013606

SCHEMBL2013606

O=CCc1c(Cl)cc(CCO)c(-c2cccc(F)c2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
DCLRE1B Q9H816 1/20 0.33
ACLY P53396 2/20 0.32
GCGR P47871 1/20 0.32
ADORA1 P30542 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
CSNK1E P49674 2/20 0.30

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
SCHEMBL2013604 0.79 AR (0.40) ARGCGRMEN1KMT2A
SCHEMBL15621301 0.72 AR (0.47) ARDCLRE1BACLYGCGRMEN1
SCHEMBL14742437 0.71 EPAS1 (0.32) AR
SCHEMBL2015782 0.69 NT5E (0.36) DCLRE1BMEN1KMT2ARELA
SCHEMBL2018081 0.69 FBP1 (0.39) ARACLYMEN1KMT2A
SCHEMBL2014653 0.68 CSNK2A2 (0.39) GCGRADORA1
SCHEMBL2013731 0.67 AR (0.36) ARADORA1MEN1KMT2A
SCHEMBL9952150 0.67 AR (0.36) ARDCLRE1BACLYRELA
SCHEMBL2019261 0.67 PIK3CD (0.44) ACLYGCGRADORA1KMT2A
SCHEMBL2016569 0.64 NT5E (0.36) MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed