SCHEMBL2556049

SCHEMBL2556049

O=Cc1ccc(OCc2csc(C(=O)O)n2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.45
PTGER1 P34995 1/20 0.43
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TTR P02766 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 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
SCHEMBL2559956 0.80 SMN1; SMN2 (0.49) MRGPRX4POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2555519 0.79 MAOA (0.52) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL18209464 0.71 TDP1 (0.66) POLBSMN1; SMN2TTRMAPTTDP1
SCHEMBL2554389 0.71 RAB9A (0.51) NPC1RAB9ATTRMAPTTDP1
SCHEMBL15330861 0.70 ALDH1A1 (0.41) MRGPRX4NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL1050683 0.70 SMN1; SMN2 (0.68) MRGPRX4POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2559624 0.70 NPC1 (0.73) MRGPRX4POLBNPC1RAB9ASMN1; SMN2
SCHEMBL8800412 0.70 CYSLTR1 (0.49)
SCHEMBL20211804 0.70 RAB9A (0.50) NPC1RAB9AMAPTTDP1HPGD
SCHEMBL3561666 0.69 NPC1 (0.57) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT

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