SCHEMBL22112419

SCHEMBL22112419

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4c(c3)oc3ccccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 7/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
GGPS1 O95749 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
PRKDC P78527 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
CDC14B O60729 1/20 0.32
CDC14A Q9UNH5 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
SCHEMBL24255438 0.97 ALOX5 (0.41) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL17524737 0.92 ALOX5 (0.43) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL24066080 0.92 TSHR (0.33) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL22112409 0.92 ALDH1A1 (0.34) ALDH1A1POLBKDM4EMAPTNPSR1
SCHEMBL24899588 0.91 MAPT (0.35) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL24255395 0.90 ALDH1A1 (0.34) ALDH1A1POLBKDM4EMAPTNPSR1
SCHEMBL24255426 0.90 ALDH1A1 (0.34) ALDH1A1POLBKDM4EMAPTNPSR1
SCHEMBL24255927 0.89 ALOX5 (0.45) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL24066078 0.89 MMP12 (0.33) ALDH1A1POLBKDM4EMAPTTSHR
SCHEMBL26415419 0.89 MAPT (0.33) ALDH1A1POLBKDM4EMAPTTSHR

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-2020122576-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, METHOD FOR MANUFACTURING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER 엘티소재주식회사 2020-06-18 WO disclosed