SCHEMBL2555883

SCHEMBL2555883

NC(=O)Cc1nccc(C=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.35
ACHE P22303 2/20 0.35
KMT2A Q03164 2/20 0.35
MPI P34949 1/20 0.35
CCR1 P32246 1/20 0.34
BCHE P06276 1/20 0.33
RRM2 P31350 1/20 0.33
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL29950759 0.78 SORD (0.46) ALDH1A1KMT2AMPICCR1
SCHEMBL28281051 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AMPICCR1
SCHEMBL7084096 0.77 HTT (0.44) HTTALDH1A1ACHEKMT2ABCHE
SCHEMBL15542709 0.75 HTT (0.61) HTTALDH1A1ACHEKMT2ALMNA
SCHEMBL27167090 0.75 HTT (0.43) HTTALDH1A1ACHEKMT2ABCHE
SCHEMBL24915248 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMPICCR1FGFR4
SCHEMBL29950723 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMPICCR1FGFR4
SCHEMBL29956022 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMPICCR1FGFR4
SCHEMBL21597037 0.72 GABRP (0.45) ALDH1A1CA2RAB9AGABRPGABRD
SCHEMBL29957282 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMPICCR1LMNA

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