SCHEMBL24528638

SCHEMBL24528638

CN(C)CCC/N=C/c1sccc1-c1nc(Cl)nc2c1ccn2-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL29680729 1.00 KDM4E (0.36) KDM4EALDH1A1LMNA
SCHEMBL24528699 0.83 KDM4E (0.36) KDM4EALDH1A1LMNA
SCHEMBL29680601 0.83 KDM4E (0.36) KDM4EALDH1A1LMNA
SCHEMBL29680822 0.82 KDM4E (0.37) KDM4EALDH1A1LMNA
SCHEMBL24528692 0.82 KDM4E (0.37) KDM4EALDH1A1LMNA
SCHEMBL24528583 0.82 KDM4E (0.38) KDM4EALDH1A1LMNA
SCHEMBL29680660 0.82 KDM4E (0.38) KDM4EALDH1A1LMNA
SCHEMBL24528715 0.80 KDM4E (0.38) KDM4EALDH1A1LMNA
SCHEMBL29680698 0.80 KDM4E (0.38) KDM4EALDH1A1LMNA
SCHEMBL29680514 0.79 TERT (0.33) KDM4EALDH1A1

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-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed