SCHEMBL2555338

SCHEMBL2555338

Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(C=O)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
ADORA1 P30542 3/20 0.47
ADORA2A P29274 1/20 0.47
MCHR1 Q99705 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
DHODH Q02127 2/20 0.39
ATR Q13535 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GRM5 P41594 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
GALR1 P47211 1/20 0.38
BACE1 P56817 2/20 0.37
S1PR1 P21453 1/20 0.37
CTSD P07339 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL2560302 0.84 SCN9A (0.41) ADORA2AKCNH2ALOX5APFEN1
SCHEMBL2560627 0.80 ADORA2A (0.47) XDHADORA1ADORA2AALOX5APFEN1
SCHEMBL2559406 0.78 MTOR (0.43) ADORA1ADORA2ABACE1
SCHEMBL27993899 0.76 ADORA1 (0.49) XDHADORA1ADORA2AMCHR1KCNH2
SCHEMBL15332445 0.76 XDH (0.44) XDHADORA1ADORA2AKCNH2SCN10A
SCHEMBL2560903 0.75 SCN10A (0.46) SCN10AALOX5APFEN1S1PR1
SCHEMBL29956107 0.74 ASIC3 (0.41) ADORA1ADORA2AALOX5APFEN1BACE1
SCHEMBL2554637 0.73 ADORA1 (0.46) XDHADORA1ADORA2AKCNH2SCN10A
SCHEMBL12538473 0.73 TRPV3 (0.49) XDHADORA1ADORA2ADHODHATR
SCHEMBL20546061 0.71 CYP2E1 (0.48) XDHKCNH2SCN10AGALR1

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