SCHEMBL2554823

SCHEMBL2554823

Cc1cccc(C(C#N)C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACP3 P15309 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ACHE P22303 2/20 0.38
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
AOC3 Q16853 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MGLL Q99685 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B2 P37059 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL8992976 0.79 DAO (0.40) TAAR1CTSLCTSBCTSS
SCHEMBL4169139 0.79 ACP3 (0.40) ALDH1A1GAAACP3ESR1ESR2
SCHEMBL2557815 0.79 HDAC4 (0.41) ALDH1A1ESR1ESR2AOC3HTT
SCHEMBL4170506 0.78 CHRM2 (0.46) L3MBTL1ACHEAOC3MGLL
SCHEMBL2553737 0.77 ALDH1A1 (0.40) ALDH1A1GAAACHEESR1ESR2
SCHEMBL9489967 0.77 TSHR (0.46) ALDH1A1L3MBTL1HTTMAPK1
SCHEMBL544445 0.77 TSHR (0.46) ALDH1A1L3MBTL1HTTMAPK1
SCHEMBL2558034 0.75 ACHE (0.46) ALDH1A1GAAL3MBTL1ACP3ACHE
SCHEMBL8657217 0.75 ACHE (0.52) ALDH1A1GAAL3MBTL1ACP3TAAR1
SCHEMBL9729373 0.75 ACHE (0.46) ALDH1A1GAAL3MBTL1ACP3ACHE

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