SCHEMBL9844771

SCHEMBL9844771

COC(=O)c1ccc(C(=O)C=Cc2cn(C)c3ncnc(O)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
MAPT P10636 8/20 0.43
LMNA P02545 5/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 4/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
P4HB P07237 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9844938 0.76 PTPN1 (0.41) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL13004526 0.69 RPS6KA3 (0.51) MAPTMEN1KMT2AKDM4ETP53
SCHEMBL22677981 0.68 SRC (0.55)
SCHEMBL29407781 0.68 SRC (0.55)
SCHEMBL4283533 0.66 MTOR (0.44) KDM4EALDH1A1
SCHEMBL9844770 0.64 EP300 (0.49) TP53HPGDSMN1; SMN2ALDH1A1
SCHEMBL25201232 0.64 MAPT (0.75) NPC1RAB9AMAPTLMNAMEN1
SCHEMBL25204220 0.64 MAPT (0.75) NPC1RAB9AMAPTLMNAMEN1
SCHEMBL1319910 0.63 MAPT (0.73) NPC1RAB9AMAPTLMNAMEN1
SCHEMBL1319909 0.63 MAPT (0.73) NPC1RAB9AMAPTLMNAMEN1

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-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed