SCHEMBL2558707

SCHEMBL2558707

O=Cc1c(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AHR P35869 1/20 0.40
LMNA P02545 2/20 0.40
PPP1CA P62136 1/20 0.38
POLB P06746 1/20 0.37
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
ESR1 P03372 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL15329613 0.94 POLB (0.43) GAANPSR1AHRLMNAPOLB
SCHEMBL15329733 0.91 POLB (0.40) GAANPSR1POLBPTGS1PTGS2
SCHEMBL2558886 0.90 AHR (0.35) AHRLMNAPPP1CAPOLBESR1
SCHEMBL29956177 0.90 ESR1 (0.38) GAAPTGS1PTGS2ESR1IDO1
SCHEMBL2559025 0.89 KMT2A (0.39) GAALMNAPPP1CAPOLBESR1
SCHEMBL15330467 0.89 POLB (0.43) GAANPSR1LMNAPPP1CAPOLB
SCHEMBL2557255 0.89 ESR1 (0.37) AHRLMNAPOLBPTGS2ESR1
SCHEMBL15331332 0.88 KMT2A (0.39) GAALMNAPPP1CAPOLBPTGS1
SCHEMBL2555644 0.88 L3MBTL1 (0.41) LMNASRCBRAFKDRPTGS2
SCHEMBL15329873 0.86 CYP1A2 (0.44) SRCBRAFKDRPTGS1PTGS2

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