SCHEMBL2559787

SCHEMBL2559787

O=Cc1c(-c2cccc(F)c2)nn(-c2cc(F)ccc2F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
RIPK1 Q13546 1/20 0.35
SCN9A Q15858 1/20 0.35
PTGS2 P35354 3/20 0.34
PTGS1 P23219 1/20 0.34
GRM5 P41594 1/20 0.33
PTGER1 P34995 1/20 0.33
CSNK1E P49674 2/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RELA Q04206 1/20 0.32
CSNK1D P48730 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
NFE2L2 Q16236 1/20 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
SCHEMBL2555014 0.91 NPC1 (0.39) ESR1RIPK1PTGER1KDM4EALDH1A1
SCHEMBL15329952 0.90 NPC1 (0.41) SCN9APTGS2PTGS1PTGER1CSNK1E
SCHEMBL15331264 0.90 PTGER1 (0.35) SCN9APTGS2PTGS1PTGER1KDM4E
SCHEMBL2560165 0.89 LMNA (0.39) ESR1RIPK1ALDH1A1
SCHEMBL15331781 0.85 TMEM97 (0.40) SCN9APTGS2PTGER1KDM4EALDH1A1
SCHEMBL15332350 0.85 ESR1 (0.36) ESR1RIPK1SCN9APTGS2PTGS1
SCHEMBL15331778 0.85 PTGS2 (0.40) PTGS2PTGS1ALDH1A1MAPK1
SCHEMBL15331796 0.84 PTGS2 (0.35) PTGS2PTGS1PTGER1CSNK1EPGR
SCHEMBL2555644 0.84 L3MBTL1 (0.41) PTGS2GRM5PGRRELAGPBAR1
SCHEMBL15331332 0.84 KMT2A (0.39) ESR1PTGS2PTGS1HTT

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