SCHEMBL23328692

SCHEMBL23328692

N#Cc1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(C#N)c3ccccc23)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G2A P14555 4/20 0.35
PLA2G4A P47712 4/20 0.35
TNKS O95271 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
AHR P35869 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 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
SCHEMBL23328417 0.90 KDM4E (0.41) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL23328695 0.88 ALDH1A1 (0.38) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL23328471 0.86 ALDH1A1 (0.40) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL25544532 0.86 ALDH1A1 (0.40) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL25543480 0.85 ALDH1A1 (0.39) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL12135911 0.83 PLA2G2A (0.43) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL25544702 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL23328492 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL23328499 0.81 KDM4E (0.39) KDM4EALDH1A1MAPTNPC1MEN1
SCHEMBL20462419 0.81 PLA2G2A (0.43) KDM4EALDH1A1MAPTNPC1MEN1

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-2021085817-A2 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-05-06 WO disclosed