SCHEMBL29615917

SCHEMBL29615917

COC(=O)c1ccc(N)c(C(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
KDM4E B2RXH2 8/20 0.64
MAPT P10636 8/20 0.64
HPGD P15428 7/20 0.64
HSD17B10 Q99714 5/20 0.64
GAA P10253 4/20 0.64
GLA P06280 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
ATM Q13315 1/20 0.64
ALOX15 P16050 3/20 0.51
TSHR P16473 1/20 0.51
HDAC1 Q13547 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CFTR P13569 1/20 0.50

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
SCHEMBL1680679 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL2912873 0.89 KDM4E (0.73) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL22489533 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL21216702 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL29691521 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL30034172 0.86 KDM4E (0.60) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL12042607 0.86 KDM4E (0.80) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL2315127 0.86 MAPT (0.64) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3497730 0.86 KDM4E (0.64) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL20110922 0.83 PRKCI (0.53) KDM4EMAPTUSP2NPC1RAB9A

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
EP-3999493-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2022-05-25 EP disclosed