SCHEMBL25458191

SCHEMBL25458191

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6sc7cc(-c8ccccc8)ccc7c56)cc5oc6ccccc6c45)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.32
LIMK1 P53667 1/20 0.31
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31
BACE1 P56817 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
PIK3CA P42336 1/20 0.30
PI4KA P42356 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL25458177 0.97 BACE1 (0.32) HCRTR1LIMK1PLA2G2APLA2G4ABACE1
SCHEMBL26223985 0.95 PLA2G2A (0.32) HCRTR1LIMK1PLA2G2APLA2G4ABACE1
SCHEMBL26227551 0.95 BACE1 (0.33) HCRTR1LIMK1BACE1TSHR
SCHEMBL26220534 0.95 BACE1 (0.33) HCRTR1LIMK1BACE1TSHR
SCHEMBL26217049 0.94 BACE1 (0.33) HCRTR1LIMK1BACE1TSHR
SCHEMBL26228191 0.93 HSD17B1 (0.31) LIMK1PLA2G2APLA2G4ABACE1
SCHEMBL26220854 0.93 HSD17B1 (0.31) LIMK1PLA2G2APLA2G4ABACE1
SCHEMBL25458573 0.93 BRDT (0.32) HCRTR1LIMK1PLA2G2APLA2G4ATSHR
SCHEMBL25458194 0.93 BACE1 (0.34) LIMK1PLA2G2APLA2G4ABACE1PIM1
SCHEMBL22700314 0.93 PLA2G2A (0.33) LIMK1PLA2G2APLA2G4ABACE1PIM1

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