SCHEMBL2559545

SCHEMBL2559545

O=Cc1nccn1C(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
AADAT Q8N5Z0 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
SCHEMBL29955694 0.77 CYP2D6 (0.44) HSD17B10KMT2AL3MBTL1KDM4ETDP1
SCHEMBL15330975 0.75 HSD17B10 (0.55) HSD17B10NPSR1KMT2AMAPTL3MBTL1
SCHEMBL4128009 0.69 HSD17B10 (0.63) HSD17B10NPSR1KMT2AMAPTL3MBTL1
SCHEMBL18258610 0.69 HSD17B10 (1.00) HSD17B10NPSR1KMT2AMAPTL3MBTL1
SCHEMBL18258615 0.69 HSD17B10 (1.00) HSD17B10NPSR1KMT2AMAPTL3MBTL1
SCHEMBL1240881 0.68 ALDH1A1 (0.48) HSD17B10KMT2AMAPTMEN1CYP2C9
SCHEMBL9615672 0.68 HSD17B10 (0.57) HSD17B10NPSR1KMT2AMAPTL3MBTL1
SCHEMBL21351765 0.67 ALDH1A1 (0.51) HSD17B10NPSR1KMT2AMAPTL3MBTL1
SCHEMBL4971340 0.66 CYP3A4 (0.48) HSD17B10NPSR1KMT2AMAPTL3MBTL1
SCHEMBL16581984 0.66 HTT (0.44) KMT2AL3MBTL1POLBCYP2C9CYP2C19

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