SCHEMBL2558031

SCHEMBL2558031

OB(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.43
CYP1A2 P05177 2/20 0.43
ACP1 P24666 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
SCN10A Q9Y5Y9 2/20 0.40
DHODH Q02127 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GRM2 Q14416 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 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
SCHEMBL2553990 0.84 SCN5A (0.47) SCN5ACYP1A2ACP1ADORA3TRPV3
SCHEMBL2560584 0.84 TRPV3 (0.46) TRPV3SCN10A
SCHEMBL2558500 0.82 MGLL (0.43) ADORA3TRPV3
SCHEMBL1549874 0.77 TRPV3 (0.45) SCN5ACYP1A2ACP1ADORA3TRPV3
SCHEMBL2556354 0.75 CNR2 (0.43) ALDH1A1
SCHEMBL15330682 0.74 SCN5A (0.44) SCN5ACYP1A2ACP1ADORA3SCN10A
SCHEMBL1549876 0.74 KDM4E (0.49) SCN5ACYP1A2ADORA3SCN10ADHODH
SCHEMBL2556835 0.73 SCN10A (0.39) SCN5ACYP1A2SCN10AKDM4ENPC1
SCHEMBL2557332 0.72 GRM2 (0.40) SCN5AACP1ADORA3SCN10AGRM2
SCHEMBL2555355 0.72 SCN5A (0.44) SCN5ACYP1A2ACP1ADORA3SCN10A

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