SCHEMBL25458076

SCHEMBL25458076

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6sc7cccc(-c8ccccc8)c7c56)c5oc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
MAPT P10636 7/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
CDC14B O60729 2/20 0.36
CDC14A Q9UNH5 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LIMK1 P53667 1/20 0.36
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
BRDT Q58F21 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
BACE1 P56817 1/20 0.32
PIM1 P11309 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
SCHEMBL22376010 0.94 BRDT (0.38) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL22376985 0.94 BRDT (0.38) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL26217052 0.93 BRDT (0.36) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL25458074 0.93 LIMK1 (0.38) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL25459077 0.92 ALOX5 (0.38) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL25458075 0.92 BRDT (0.35) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL26223987 0.92 BRDT (0.35) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL23823786 0.92 PIM3 (0.35) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL26763696 0.92 BRDT (0.36) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL26220542 0.92 BRDT (0.36) ALOX5MAPTALDH1A1KDM4EPOLB

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