SCHEMBL2555006

SCHEMBL2555006

OB(O)c1cccc(COc2cc(Cl)ccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.61
ENPP2 Q13822 4/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
THRB P10828 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL2554070 0.89 MRGPRX4 (0.68) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL2557342 0.86 MRGPRX4 (0.53) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL2557998 0.85 NPC1 (0.59) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL2556022 0.84 MRGPRX4 (0.51) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL2559560 0.83 MRGPRX4 (0.63) MRGPRX4ENPP2SMN1; SMN2THRB
SCHEMBL2558397 0.83 MRGPRX4 (0.55) MRGPRX4
SCHEMBL2560774 0.81 MRGPRX4 (0.60) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL2561245 0.81 ENPP2 (0.64) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL544428 0.81 LIPE (0.53) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL2560724 0.81 GPR84 (0.55) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A

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