SCHEMBL22330182

SCHEMBL22330182

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7cc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc%12oc%13c(-c%14nc(-c%15ccccc%15)nc(-c%15cccc%16c%15oc%15ccccc%15%16)n%14)cccc%13c%12c%11)n%10)cc9)ccc78)n6)cccc5c4c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
PRKDC P78527 1/20 0.41
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PLA2G2A P14555 2/20 0.40
PLA2G4A P47712 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
PLA2G10 O15496 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GGPS1 O95749 1/20 0.37
PTPRF P10586 2/20 0.36

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
SCHEMBL24216243 1.00 ALOX5 (0.45) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25627165 1.00 ALOX5 (0.45) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25627159 1.00 ALOX5 (0.45) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25645832 1.00 ALOX5 (0.45) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL24216763 1.00 ALOX5 (0.45) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458513 1.00 ALOX5 (0.45) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25627455 1.00 ALOX5 (0.45) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL23349438 0.99 ALOX5 (0.46) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL23349644 0.99 ALOX5 (0.46) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL24215994 0.99 ALOX5 (0.46) ALOX5PRKDCPIM1CSNK2A2CSNK2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581494-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-02-14 US disclosed
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 US disclosed