SCHEMBL25458695

SCHEMBL25458695

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6ccc7c(c6)sc6c(-c8ccccc8)cccc67)cc45)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.41
▸ LIMK1 P53667 12/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PLA2G2A P14555 2/20 0.34
▸ PLA2G4A P47712 2/20 0.34
▸ 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
▸ LIMK2 P53671 2/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL25458920 1.00 PRKDC (0.41) PRKDCLIMK1ALOX5PLA2G2APLA2G4A
SCHEMBL20871634 1.00 PRKDC (0.41) PRKDCLIMK1ALOX5PLA2G2APLA2G4A
SCHEMBL25458686 0.98 PRKDC (0.43) PRKDCLIMK1ALOX5PLA2G2APLA2G4A
SCHEMBL25458949 0.97 PRKDC (0.42) PRKDCLIMK1ALOX5PLA2G2APLA2G4A
SCHEMBL21261195 0.96 PRKDC (0.45) PRKDCLIMK1ALOX5PLA2G2APLA2G4A
SCHEMBL25458769 0.96 PRKDC (0.45) PRKDCLIMK1ALOX5PLA2G2APLA2G4A
SCHEMBL25458818 0.96 PRKDC (0.43) PRKDCLIMK1ALOX5LIMK2MMP12
SCHEMBL23913214 0.95 PRKDC (0.44) PRKDCLIMK1ALOX5PLA2G2APLA2G4A
SCHEMBL25645861 0.95 PRKDC (0.42) PRKDCLIMK1ALOX5MMP12MMP13
SCHEMBL25458709 0.94 PRKDC (0.41) PRKDCLIMK1ALOX5PLA2G2APLA2G4A

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
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