SCHEMBL24078128

SCHEMBL24078128

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ AVPR1A P37288 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
SCHEMBL31845 0.99 L3MBTL1 (0.33) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL18564381 0.97 KDM4E (0.32) KDM4EATML3MBTL1RORCRXFP1
SCHEMBL25965998 0.96 KDM4E (0.33) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL19104550 0.96 RXRA (0.32) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL25966366 0.95 KDM4E (0.33) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL25966553 0.94 KDM4E (0.34) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL24078768 0.94 MEN1 (0.34) KDM4EL3MBTL1HDAC4RXRARXFP1
SCHEMBL10014095 0.93 L3MBTL1 (0.37) KDM4EATML3MBTL1HDAC4RORC
SCHEMBL20616230 0.93 KDM4E (0.32) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL25966454 0.93 KDM4E (0.35) KDM4EATML3MBTL1HDAC4RXRA

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
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
WO-2021239772-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2021-12-02 — — WO disclosed
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