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Sugi Predict / Compounds / SCHEMBL25964796

SCHEMBL25964796

SCHEMBL25964796

c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3cccc4c3oc3ccccc34)n2)cc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PRKDC P78527 2/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL25121887 0.94 MAPT (0.32) MAPTALOX5KDM4ETSHRLMNA
SCHEMBL25965115 0.93 PRKDC (0.33) ALOX5PRKDC
SCHEMBL25965216 0.93 PRKDC (0.36) ALOX5PRKDC
SCHEMBL25964798 0.92 ALOX5 (0.32) MAPTALOX5KDM4ETSHRLMNA
SCHEMBL25121803 0.91 ALOX5 (0.35) MAPTALOX5KDM4ETSHRLMNA
SCHEMBL16442589 0.91 DUSP3 (0.31) —
SCHEMBL25964797 0.91 ALOX5 (0.31) ALOX5
SCHEMBL25964705 0.90 — —
SCHEMBL25964525 0.90 — —
SCHEMBL25964623 0.90 CHEK2 (0.31) —

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-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 — — US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 — — US disclosed