Sugi Predict

Sugi Predict / Compounds / SCHEMBL19980592

SCHEMBL19980592

SCHEMBL19980592

c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccc(-c7ccc(-c8ccc(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11-%12)ccc%109)cc8)cc7)cc6)cc5)ccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDK2 Q15119 2/20 0.35
▸ TSPO P30536 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ DNM1 Q05193 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
SCHEMBL17178665 1.00 KDM4E (0.39) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL24667556 1.00 KDM4E (0.39) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL16596566 0.99 KDM4E (0.40) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL24569001 0.99 KDM4E (0.36) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL16596613 0.99 KDM4E (0.40) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL22172948 0.98 KDM4E (0.37) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL24667874 0.98 KDM4E (0.36) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL24667875 0.98 KDM4E (0.36) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL20232363 0.98 KDM4E (0.36) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL19271571 0.96 KDM4E (0.40) KDM4EATML3MBTL1PDK2TSPO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700909-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-01-24 — — EP disclosed
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 — — EP disclosed
WO-2018050584-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 — — WO disclosed