SCHEMBL21140119

SCHEMBL21140119

O=C(/C=C/c1ccc(O)cc1)NCCC(=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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ RECQL P46063 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ AKR1B1 P15121 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ APP P05067 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ ELAVL3 Q14576 2/20 0.40
▸ IPMK Q8NFU5 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ IP6K2 Q9UHH9 2/20 0.40
▸ BCL9 O00512 3/20 0.39
▸ CTNNB1 P35222 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ TP53 P04637 2/20 0.39

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
SCHEMBL21140293 0.86 MEN1 (0.39) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139363 0.80 MEN1 (0.51) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139364 0.78 SRC (0.56) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139372 0.78 MEN1 (0.50) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139370 0.77 MEN1 (0.55) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139389 0.76 MEN1 (0.54) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139361 0.75 SRC (0.54) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL13846135 0.72 MEN1 (0.57) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL3985496 0.69 MEN1 (0.64) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL13846134 0.67 POLH (0.58) SRCMEN1KMT2AKDM4ERECQL

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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