SCHEMBL21140293

SCHEMBL21140293

O=C/C(=C\c1ccc(O)cc1)CNCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ RECQL P46063 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ APP P05067 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ ELAVL3 Q14576 2/20 0.39
▸ IPMK Q8NFU5 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ IP6K2 Q9UHH9 2/20 0.39
▸ SRC P12931 8/20 0.38
▸ BCL9 O00512 3/20 0.38
▸ CTNNB1 P35222 3/20 0.38
▸ USP2 O75604 2/20 0.36
▸ TP53 P04637 2/20 0.36

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
SCHEMBL21140119 0.86 SRC (0.40) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139363 0.70 MEN1 (0.51) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139364 0.69 SRC (0.56) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139370 0.67 MEN1 (0.55) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28322053 0.66 MEN1 (0.65) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139361 0.65 SRC (0.54) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139389 0.65 MEN1 (0.54) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139372 0.64 MEN1 (0.50) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL3985496 0.64 MEN1 (0.64) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28251489 0.64 MEN1 (0.67) MEN1KMT2AKDM4ECYP3A4RECQL

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-2019111265-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SHARE GAL RESEARCH AND DEVELOPMENT LTD (IL) 2019-06-13 — — WO disclosed
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