SCHEMBL21139361

SCHEMBL21139361

CC(O)C(NC(=O)/C=C/c1ccc(O)cc1)C(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.54
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ IPMK Q8NFU5 4/20 0.52
▸ IP6K2 Q9UHH9 4/20 0.52
▸ RECQL P46063 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ APP P05067 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ AKR1B1 P15121 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ THRB P10828 2/20 0.52
▸ ELAVL3 Q14576 2/20 0.52
▸ CYP1A2 P05177 5/20 0.49
▸ XDH P47989 4/20 0.49
▸ CYP1A1 P04798 4/20 0.49
▸ CYP1B1 Q16678 4/20 0.49

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
SCHEMBL21139370 0.91 MEN1 (0.55) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139364 0.88 SRC (0.56) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139363 0.86 MEN1 (0.51) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139389 0.81 MEN1 (0.54) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL3985496 0.78 MEN1 (0.64) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139372 0.78 MEN1 (0.50) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL3779634 0.78 MEN1 (0.64) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL13846135 0.75 MEN1 (0.57) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL28482492 0.74 MEN1 (0.76) SRCMEN1KMT2AKDM4ECYP3A4
SCHEMBL21139371 0.74 NOX4 (0.49) SRCMEN1KMT2AKDM4ECYP3A4

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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