SCHEMBL2551809

SCHEMBL2551809

Cc1cccc(-c2[nH]c3c(F)c(F)ccc3c2C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.36
ALOX5 P09917 1/20 0.36
FEN1 P39748 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NOS2 P35228 5/20 0.34
CSNK1D P48730 3/20 0.34
CSNK1E P49674 3/20 0.34
MAPK14 Q16539 3/20 0.34
TNKS2 Q9H2K2 1/20 0.33
NOS1 P29475 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOS3 P29474 2/20 0.32

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
SCHEMBL2559522 0.88 PTGES (0.37) PTGESALOX5FEN1CYP2D6CYP2C9
SCHEMBL15333244 0.87 TP53 (0.41) PTGESALOX5CYP2D6CYP2C9CSNK1D
SCHEMBL2558386 0.87 TNKS2 (0.40) NOS2MAPK14TNKS2NOS1NOS3
SCHEMBL2560199 0.86 NOS2 (0.44) PTGESALOX5NOS2NOS1NOS3
SCHEMBL2562293 0.84 PTGS2 (0.36)
SCHEMBL2559575 0.83 PTGES (0.37) PTGESALOX5CYP2D6CYP2C9CSNK1D
SCHEMBL2555973 0.82 MAP2 (0.42) PTGESALOX5FEN1CYP2D6CYP2C9
SCHEMBL15331517 0.82 PARP1 (0.36) MAPK14TNKS2
SCHEMBL29950808 0.82 APOL1 (0.37) PTGESALOX5FEN1CSNK1DCSNK1E
SCHEMBL29958596 0.82 FEN1 (0.39) PTGESALOX5FEN1CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed