SCHEMBL2555044

SCHEMBL2555044

CN(C)c1ccccc1NC(=O)COCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
KCNQ2 O43526 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 3/20 0.49
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK10 P53779 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 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
SCHEMBL29955273 0.83 KCNQ2 (0.56) KCNQ2POLBTSHRKMT2ASMN1; SMN2
SCHEMBL29951744 0.80 CYP2C19 (0.56) KDM4EKCNQ2POLBKMT2ASMN1; SMN2
SCHEMBL8779736 0.79 KCNQ2 (0.50) KDM4EKCNQ2POLBTSHRSMN1; SMN2
SCHEMBL11359123 0.79 POLB (0.56) KDM4EPOLBTSHRHSD17B10KMT2A
SCHEMBL2551665 0.78 KDM4E (0.48) KDM4EPOLBTSHRKMT2ASMN1; SMN2
SCHEMBL29951577 0.78 GAA (0.51) KDM4EKCNQ2KMT2A
SCHEMBL29952838 0.78 HDAC3 (0.53) KDM4EKCNQ2TSHRHSD17B10KMT2A
SCHEMBL11353875 0.75 KDM4E (0.52) KDM4EPOLBTSHRHSD17B10KMT2A
SCHEMBL19905402 0.74 ALDH1A1 (0.59) KDM4EKMT2AALDH1A1
SCHEMBL11145754 0.74 POLB (0.55) KCNQ2POLBKMT2ASMN1; SMN2ALDH1A1

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