SCHEMBL31368629

SCHEMBL31368629

COC(=O)c1c(C)nc(Cl)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.38
ACHE P22303 1/20 0.38
PLA2G2A P14555 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
ABCG2 Q9UNQ0 1/20 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
SCHEMBL62649 1.00 KMT2A (0.41) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL31368630 1.00 KMT2A (0.41) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL21032131 0.90 KDM4E (0.45) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL11481688 0.88 NPSR1 (0.46) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL61643 0.81 KDM4E (0.40) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL29635248 0.81 KDM4E (0.49) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL10995189 0.81 KDM4E (0.49) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL22712475 0.81 ALDH1A1 (0.46) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL62780 0.81 KDM4E (0.40) KMT2AKDM4EMEN1NPSR1SMN1; SMN2
SCHEMBL27192993 0.81 NPSR1 (0.40) KMT2AKDM4EMEN1NPSR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024250984-A1 ANTIBODY-DRUG CONJUGATE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION THEREFOR AND USE THEREOF 上海维申医药有限公司 2024-12-12 WO disclosed
WO-2024250985-A1 TOLL-LIKE RECEPTOR AGONIST HETEROCYCLIC DERIVATIVE, PREPARATION THEREOF, AND USE THEREOF 上海维申医药有限公司 2024-12-12 WO disclosed