SCHEMBL4674582

SCHEMBL4674582

CC(COC(=O)N1CCC(Cc2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPK14 Q16539 2/20 0.51
HTR2B P41595 1/20 0.51
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL4674578 1.00 MEN1 (0.55) MEN1KMT2APRMT5WDR77KCNH2
SCHEMBL1831673 0.88 SMN1; SMN2 (0.47) MEN1KMT2APRMT5WDR77L3MBTL1
SCHEMBL1831669 0.88 SMN1; SMN2 (0.47) MEN1KMT2APRMT5WDR77L3MBTL1
SCHEMBL3636867 0.84 SMN1; SMN2 (0.43) MEN1KMT2APRMT5WDR77L3MBTL1
SCHEMBL3636237 0.84 RORC (0.49) MEN1KMT2AL3MBTL1ALDH1A1RAB9A
SCHEMBL3636119 0.84 SMN1; SMN2 (0.43) MEN1KMT2APRMT5WDR77L3MBTL1
SCHEMBL3636241 0.84 RORC (0.49) MEN1KMT2AL3MBTL1ALDH1A1RAB9A
SCHEMBL1838495 0.82 SMN1; SMN2 (0.43) MEN1KMT2AKCNH2HRH3L3MBTL1
SCHEMBL1838492 0.82 SMN1; SMN2 (0.43) MEN1KMT2AKCNH2HRH3L3MBTL1
SCHEMBL3636445 0.81 CHRM2 (0.46) MEN1KMT2APRMT5WDR77ALDH1A1

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-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed