SCHEMBL29953783

SCHEMBL29953783

COc1ccc(OCC(=O)NCC#N)c(C=O)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ERN1 O75460 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42
BACE1 P56817 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
POLB P06746 2/20 0.41
ANO1 Q5XXA6 1/20 0.41
TUBB1 Q9H4B7 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
SCHEMBL2553637 0.91 KDM4E (0.61) RAB9AKDM4EALDH1A1NPC1TP53
SCHEMBL29957274 0.90 RAB9A (0.52) RAB9AKDM4EALDH1A1NPC1TP53
SCHEMBL2560184 0.88 RAB9A (0.64) RAB9AKDM4EALDH1A1NPC1TP53
SCHEMBL29952430 0.86 RAB9A (0.72) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL2554836 0.84 KDM4E (0.69) RAB9AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL2559585 0.84 PTGDR2 (0.61) RAB9AKDM4EALDH1A1NPC1TP53
SCHEMBL2561656 0.84 GAA (0.47) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL2554953 0.83 KDM4E (0.71) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL15331584 0.83 RAB9A (0.64) RAB9AKDM4EALDH1A1NPC1HSD17B10
SCHEMBL2556788 0.83 RAB9A (0.64) RAB9AKDM4EALDH1A1NPC1TP53

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 1 patent. 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