SCHEMBL25458074

SCHEMBL25458074

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6sc7c(-c8ccccc8)cccc7c56)c5oc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.38
ALOX5 P09917 3/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
CDC14B O60729 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
PRKDC P78527 2/20 0.32
BRDT Q58F21 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 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
SCHEMBL25458044 0.97 LIMK1 (0.39) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL26223135 0.94 LIMK1 (0.35) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL26226361 0.93 LIMK1 (0.35) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL25459072 0.93 LIMK1 (0.39) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL26216392 0.93 LIMK1 (0.38) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL25458076 0.93 ALOX5 (0.38) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL26224421 0.92 LIMK1 (0.35) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL25458035 0.92 MAPT (0.35) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL25458114 0.91 ALOX5 (0.45) LIMK1ALOX5MAPTALDH1A1KDM4E
SCHEMBL26223055 0.91 CDC14B (0.36) LIMK1ALOX5MAPTALDH1A1KDM4E

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