SCHEMBL7480336

SCHEMBL7480336

CN(C)C(=O)Oc1ccc(Cl)c2c1CN(Nc1ccncc1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.36
NCEH1 Q6PIU2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.34
TYK2 P29597 1/20 0.34
KCNMA1 Q12791 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Hydrochloric Acid SCHEMBL7490200 0.99 KDM4E (0.43) KDM4EGAATSHRNPC1RAB9A
SCHEMBL7483738 0.81 ACHE (0.40) KDM4ENCEH1ACHE
SCHEMBL7478752 0.81 KCNMA1 (0.39) RAB9ASMN1; SMN2TYK2KCNMA1MEN1
SCHEMBL7480341 0.81 TYK2 (0.36) GAATYK2KCNMA1HTTMEN1
Hydrochloric Acid SCHEMBL7483308 0.80 KCNMA1 (0.38) NPC1RAB9ASMN1; SMN2TYK2KCNMA1
SCHEMBL7479797 0.80 PKM (0.40) NCEH1ACHE
SCHEMBL7480188 0.80 KCNH2 (0.35) KDM4EGAATSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL7481351 0.80 TYK2 (0.35) GAATYK2KCNMA1HTTMEN1
Hydrochloric Acid SCHEMBL7481921 0.79 KCNH2 (0.34) KDM4EGAATSHRNPC1RAB9A
SCHEMBL7480200 0.76 ACHE (0.41) KDM4EACHE

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-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed