SCHEMBL23328450

SCHEMBL23328450

N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C#N)c5ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
SLC22A12 Q96S37 8/20 0.40
PARP14 Q460N5 1/20 0.36
PRKDC P78527 2/20 0.34
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
MAPT P10636 2/20 0.32
MCL1 Q07820 1/20 0.31
GPR3 P46089 1/20 0.31
APP P05067 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL23328487 0.91 ALOX5 (0.44) ALOX5SLC22A12PARP14PRKDCESR2
SCHEMBL25543479 0.89 ALOX5 (0.48) ALOX5SLC22A12PARP14PRKDCAR
SCHEMBL23328923 0.89 SLC22A12 (0.38) ALOX5SLC22A12PARP14ARIMPDH2
SCHEMBL25544531 0.88 ALOX5 (0.47) ALOX5SLC22A12PARP14PRKDCAR
SCHEMBL23328909 0.86 ALOX5 (0.49) ALOX5PARP14PRKDCGPR3
SCHEMBL25543176 0.86 ALOX5 (0.49) ALOX5PARP14PRKDCGPR3
SCHEMBL74719 0.85 ALOX5 (0.59) ALOX5PARP14PRKDCMAPTGPR3
SCHEMBL23328442 0.85 ALOX5 (0.48) ALOX5PARP14PRKDCGPR3
SCHEMBL25544087 0.85 ALOX5 (0.48) ALOX5PARP14PRKDCGPR3
SCHEMBL23328698 0.84 SLC22A12 (0.39) SLC22A12ARIMPDH2IMPDH1MAPT

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