SCHEMBL23328472

SCHEMBL23328472

N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C#N)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.50
PGR P06401 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G2A P14555 3/20 0.39
PLA2G4A P47712 3/20 0.39
MAP4K4 O95819 1/20 0.39
AHR P35869 1/20 0.37
AR P10275 2/20 0.36
CYP19A1 P11511 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL23328421 1.00 TNKS (0.50) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL25543177 1.00 TNKS (0.50) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL25544088 1.00 TNKS (0.50) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL17742450 0.97 TNKS (0.48) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL25544356 0.94 TNKS (0.50) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL14313931 0.94 TNKS (0.50) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL23328474 0.94 TNKS (0.50) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL17740556 0.93 TNKS (0.44) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL23328469 0.92 TNKS (0.42) TNKSPGRKDM4EALDH1A1MEN1
SCHEMBL14295615 0.92 TNKS (0.48) TNKSPGRKDM4EALDH1A1MEN1

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