SCHEMBL25458037

SCHEMBL25458037

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(-c6ccccc6)c6c5sc5ccccc56)c5oc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CDC14B O60729 1/20 0.35
CDC14A Q9UNH5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LIMK1 P53667 1/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ESR2 Q92731 2/20 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
SCHEMBL25458035 0.97 MAPT (0.35) MAPTALDH1A1POLBKDM4ECDC14B
SCHEMBL25459056 0.93 LIMK1 (0.36) MAPTLIMK1PIK3CDPIK3CBPRKDC
SCHEMBL25458044 0.92 LIMK1 (0.39) MAPTALDH1A1POLBKDM4ECDC14B
SCHEMBL25459566 0.90 LIMK1 (0.39) MAPTALDH1A1POLBKDM4ELIMK1
SCHEMBL26050999 0.90 ALOX5 (0.36) MAPTALDH1A1POLBKDM4ELIMK1
SCHEMBL25459054 0.90 LIMK1 (0.35) MAPTALDH1A1POLBKDM4ENPSR1
SCHEMBL25458036 0.89 ALOX5 (0.34) MAPTALDH1A1POLBKDM4ECDC14B
SCHEMBL22376258 0.89 ALOX5 (0.39) MAPTALDH1A1POLBKDM4ECDC14B
SCHEMBL22376262 0.89 ALOX5 (0.39) MAPTALDH1A1POLBKDM4ECDC14B
SCHEMBL22376865 0.89 ALOX5 (0.39) MAPTALDH1A1POLBKDM4ECDC14B

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