SCHEMBL2554057

SCHEMBL2554057

CSc1ncc(C=O)c(NCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.47
HTT P42858 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA13 Q8N1Q1 2/20 0.45
CA7 P43166 1/20 0.45
SRC P12931 4/20 0.43
ABL1 P00519 3/20 0.43
FYN P06241 2/20 0.43
FLT3 P36888 2/20 0.43
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL14914225 0.87 PPARG (0.53) PPARGSMN1; SMN2HSD17B10HTTCA1
SCHEMBL4712462 0.85 HTT (0.51) HTTCA1CA2CA13CA7
SCHEMBL2559849 0.83 HTT (0.70) SMN1; SMN2HTTRXFP1
SCHEMBL16071673 0.81 HTT (0.48) HTT
SCHEMBL2560554 0.80 CYP1A2 (0.47) SMN1; SMN2HSD17B10HTT
SCHEMBL1522370 0.80 PPARG (0.62) PPARGSMN1; SMN2HSD17B10THRBHTT
SCHEMBL1521840 0.80 ALDH1A1 (0.40) SMN1; SMN2HTTCA1CA2CA13
SCHEMBL24670415 0.79 CA1 (0.42) PPARGSMN1; SMN2THRBHTTCA1
SCHEMBL24670094 0.79 CA1 (0.49) PPARGHTTCA1CA2CA13
SCHEMBL4716419 0.79 LMNA (0.47) PPARGTHRBHTTCA1CA2

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