SCHEMBL25458044

SCHEMBL25458044

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5sc5cccc(-c7ccccc7)c56)c5oc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.39
MAPT P10636 7/20 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 2/20 0.35
ALOX5 P09917 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PRKDC P78527 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 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
SCHEMBL25458074 0.97 LIMK1 (0.38) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL26224421 0.95 LIMK1 (0.35) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL26236595 0.94 LIMK1 (0.35) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL26217698 0.94 LIMK1 (0.38) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL26223135 0.93 LIMK1 (0.35) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL23823885 0.93 LIMK1 (0.40) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL26226361 0.92 LIMK1 (0.35) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL25458037 0.92 MAPT (0.36) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL26220817 0.92 LIMK1 (0.37) LIMK1MAPTALDH1A1POLBKDM4E
SCHEMBL25458076 0.91 ALOX5 (0.38) LIMK1MAPTALDH1A1POLBKDM4E

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