SCHEMBL25458403

SCHEMBL25458403

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2ccc(-c4cccc(-c5ccc6c(c5)oc5c(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cccc56)c4)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
PRKDC P78527 4/20 0.38
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GGPS1 O95749 1/20 0.32
PTGER4 P35408 1/20 0.32
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
PTPRF P10586 5/20 0.31
PTPN2 P17706 5/20 0.31
PTPN1 P18031 5/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
PTGES2 Q9H7Z7 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
SCHEMBL25458918 0.99 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458951 0.99 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458730 0.99 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458657 0.98 ALOX5 (0.38) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458731 0.97 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458844 0.97 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458842 0.96 ALOX5 (0.38) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458373 0.95 ALOX5 (0.35) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458449 0.95 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL25458460 0.95 PRKDC (0.35) 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-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed