SCHEMBL2555679

SCHEMBL2555679

[C-]#[N+]C(CC(=O)OC)c1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
CTSA P10619 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
HTR1D P28221 2/20 0.37
ERCC5 P28715 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
SCHEMBL8770882 0.81 MEN1 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL13802834 0.79 CYP1A2 (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2559124 0.77 CNR2 (0.42) MEN1KMT2ACYP3A4CTSAALDH1A1
SCHEMBL2555483 0.73 KCNA5 (0.49) MEN1KMT2AALDH1A1TSHR
SCHEMBL7680090 0.73 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL13180091 0.71 CASP1 (0.46) MEN1KMT2ACYP2D6NFKB1CTSA
SCHEMBL28038462 0.71 ADRB2 (0.53) CYP2D6NFKB1CTSA
SCHEMBL17749159 0.71 ADRB2 (0.45) CYP2D6NFKB1CTSAALDH1A1LMNA
SCHEMBL3537300 0.71 ADRB2 (0.53) CYP2D6NFKB1CTSA
SCHEMBL14417347 0.70 CASP1 (0.44) MEN1KMT2ACYP2D6NFKB1CTSA

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