SCHEMBL25458968

SCHEMBL25458968

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cccc6c45)n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.38
▸ MAPT P10636 9/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TSHR P16473 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ ALOX5 P09917 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 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
SCHEMBL22403409 0.95 LIMK1 (0.38) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL22403303 0.95 LIMK1 (0.38) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL22403406 0.93 LIMK1 (0.39) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL22403551 0.92 LIMK1 (0.40) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL24217203 0.91 PRKDC (0.44) MAPTALDH1A1KDM4EPOLBNPSR1
SCHEMBL22403420 0.91 MAPT (0.36) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL25458971 0.90 LIMK1 (0.37) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL25458990 0.90 LIMK1 (0.35) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL25459029 0.90 ALOX5 (0.42) LIMK1MAPTALDH1A1KDM4EPOLB
SCHEMBL21425386 0.90 ALOX5 (0.42) LIMK1MAPTALDH1A1KDM4EPOLB

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
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