SCHEMBL25458114

SCHEMBL25458114

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5oc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
PRKDC P78527 6/20 0.39
CDC14B O60729 2/20 0.36
CDC14A Q9UNH5 2/20 0.36
LIMK1 P53667 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRDT Q58F21 1/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 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
SCHEMBL25458122 0.98 ALOX5 (0.44) ALOX5PRKDCCDC14BCDC14ALIMK1
SCHEMBL25458064 0.95 ALOX5 (0.39) ALOX5PRKDCCDC14BCDC14ALIMK1
SCHEMBL25458049 0.95 ALOX5 (0.39) ALOX5PRKDCCDC14BCDC14ALIMK1
SCHEMBL25458008 0.94 ALOX5 (0.45) ALOX5PRKDCCDC14BCDC14APIK3CD
SCHEMBL22376262 0.93 ALOX5 (0.39) ALOX5PRKDCCDC14BCDC14ALIMK1
SCHEMBL22376865 0.93 ALOX5 (0.39) ALOX5PRKDCCDC14BCDC14ALIMK1
SCHEMBL22376248 0.93 ALOX5 (0.39) ALOX5PRKDCCDC14BCDC14APIK3CD
SCHEMBL22376249 0.93 ALOX5 (0.39) ALOX5PRKDCCDC14BCDC14APIK3CD
SCHEMBL25459120 0.93 ALOX5 (0.46) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL19196052 0.92 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBMAPT

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