Sugi Predict

Sugi Predict / Compounds / SCHEMBL19001694

SCHEMBL19001694

SCHEMBL19001694

c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TSPO P30536 1/20 0.31
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL14681401 0.95 KDM4E (0.37) KDM4EATML3MBTL1HDAC4
SCHEMBL14681535 0.95 KDM4E (0.37) KDM4EATML3MBTL1HDAC4
SCHEMBL17816675 0.94 TSPO (0.35) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL17854259 0.94 KDM4E (0.32) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL17854258 0.94 KDM4E (0.32) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL14681314 0.94 KDM4E (0.33) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15892447 0.94 TSPO (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL23222527 0.94 — —
SCHEMBL14681399 0.93 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL15892471 0.93 KDM4E (0.37) KDM4EATML3MBTL1HDAC4

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
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 — — EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed