SCHEMBL24207286

SCHEMBL24207286

Cc1c(N)ccc2c(=O)n(C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 8/20 0.36
PTPN1 P18031 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
BRD9 Q9H8M2 3/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL3341729 0.81 GAA (0.42) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22306339 0.81 GAA (0.45) GAAKDM4EBRD4PTPN1BRD9
SCHEMBL24207556 0.80 GAA (0.41) GAABRD4ATAD2BRD9MTNR1A
SCHEMBL30369590 0.78 CYP3A4 (0.39) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL24207729 0.77 GAA (0.40) GAABRD4ATAD2BRD9MTNR1A
SCHEMBL564816 0.76 GAA (0.56) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30098515 0.76 GAA (0.56) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9400494 0.75 DHFR (0.45) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL31036090 0.75 DHFR (0.45) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL24207796 0.71 ALDH1A1 (0.39) GAAKDM4EALDH1A1GLAHPGD

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
WO-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed