SCHEMBL25458683

SCHEMBL25458683

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)cc45)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.40
▸ PRKDC P78527 2/20 0.39
▸ ALOX5 P09917 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ PLA2G2A P14555 2/20 0.34
▸ PLA2G4A P47712 2/20 0.34
▸ MMP12 P39900 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL21261160 0.98 LIMK1 (0.39) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL21261180 0.98 LIMK1 (0.40) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL25458810 0.95 PRKDC (0.41) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL21261084 0.94 PRKDC (0.39) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL21261168 0.94 PRKDC (0.39) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL21261081 0.94 LIMK1 (0.40) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL21425342 0.93 LIMK1 (0.37) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL21261221 0.93 PRKDC (0.40) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL21239212 0.93 LIMK1 (0.40) LIMK1PRKDCALOX5KDM4EALDH1A1
SCHEMBL24264044 0.92 ALOX5 (0.43) LIMK1PRKDCALOX5KDM4EALDH1A1

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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