SCHEMBL27364520

SCHEMBL27364520

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc3sc4ccccc4c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 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
SCHEMBL19246591 0.93 KDM4E (0.35) KDM4EATML3MBTL1ADORA2AADORA1
SCHEMBL16905740 0.91 ATM (0.38) KDM4EATML3MBTL1ADORA2AADORA1
SCHEMBL19246590 0.90 KDM4E (0.30) KDM4EATML3MBTL1ADORA2AADORA1
SCHEMBL19247516 0.89 KDM4E (0.35) KDM4EATML3MBTL1ADORA2AADORA1
SCHEMBL19106421 0.89 KDM4E (0.36) KDM4EATML3MBTL1ADORA2AADORA1
SCHEMBL19246670 0.89 — —
SCHEMBL19246668 0.88 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL19246347 0.88 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16905639 0.88 KDM4E (0.36) KDM4EATML3MBTL1ADORA2AADORA1
SCHEMBL16905849 0.87 KDM4E (0.33) KDM4EATML3MBTL1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 — — US disclosed
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