SCHEMBL2558043

SCHEMBL2558043

Nc1cc(C=O)c(-c2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.53
FEN1 P39748 2/20 0.53
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52
SCN2A Q99250 2/20 0.42
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
XDH P47989 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
PARP1 P09874 1/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2562852 0.85 FEN1 (0.56) ALOX5APFEN1NOS3NOS2EGFR
SCHEMBL2552689 0.82 ALOX5AP (0.42) ALOX5APFEN1MEN1MAPTKMT2A
SCHEMBL15332445 0.81 XDH (0.44) ALOX5APFEN1ADORA2AADORA1XDH
SCHEMBL29955163 0.79 FGFR1 (0.47) ALOX5APFEN1ADORA2AADORA1NPC1
SCHEMBL8881894 0.77 RORB (0.44) ALOX5APFEN1ADORA2AADORA1XDH
SCHEMBL2562225 0.77 PARP1 (0.49) ADORA2AADORA1SCN2AHRH1HRH4
SCHEMBL2559978 0.76 ADORA2A (0.49) ALOX5APFEN1ADORA2AADORA1SCN2A
SCHEMBL2478195 0.75 RORC (0.50) ADORA2AADORA1SCN2AHPGDALDH1A1
SCHEMBL2553149 0.75 ALOX5AP (0.45) ALOX5APFEN1PIK3CDPIK3CAPIK3CG
SCHEMBL29952599 0.74 ERN1 (0.52) ALDH1A1MEN1

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