SCHEMBL24256902

SCHEMBL24256902

c1ccc(-c2ccc(N(c3cccc4c3oc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8cccc9c8sc8ccccc89)c8c7oc7ccccc78)n6)cc5)cccc34)c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5ccccc5c34)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CDC14B O60729 1/20 0.30
CDC14A Q9UNH5 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PRKDC P78527 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24256263 0.94 ALDH1A1 (0.34) ALOX5POLBKDM4EALDH1A1CDC14B
SCHEMBL24255853 0.91 ALDH1A1 (0.35) POLBKDM4EALDH1A1CDC14BCDC14A
SCHEMBL24255698 0.86 ALDH1A1 (0.38) ALOX5POLBKDM4EALDH1A1CDC14B
SCHEMBL23867334 0.85 ALOX5 (0.38) ALOX5PIK3CDPIK3CBPRKDC
SCHEMBL23867443 0.84 ALOX5 (0.36) ALOX5PIK3CDPIK3CBPRKDC
SCHEMBL23867414 0.84 ALOX5 (0.36) ALOX5CDC14BCDC14APIK3CDPIK3CB
SCHEMBL25621246 0.83 ALOX5 (0.35) ALOX5PIK3CDPIK3CBPRKDC
SCHEMBL24255872 0.83 ALDH1A1 (0.35) POLBKDM4EALDH1A1CDC14BCDC14A
SCHEMBL22523452 0.83 ALOX5 (0.40) ALOX5CDC14BCDC14APIK3CDPIK3CB
SCHEMBL22523722 0.83 ALOX5 (0.40) ALOX5CDC14BCDC14APIK3CDPIK3CB

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-2022035224-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2022-02-17 WO disclosed