SCHEMBL19152003

SCHEMBL19152003

Brc1ccc2c3ccccc3n(-c3ccc(-c4cccc5ccccc45)cc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL19152286 0.92 CA12 (0.41) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL30463515 0.92 KDM4E (0.41) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL3663582 0.92 KDM4E (0.41) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL17402872 0.89 HDAC8 (0.41) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL23370482 0.89 KDM4E (0.46) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL12699603 0.89 KDM4E (0.46) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL30463512 0.87 KDM4E (0.53) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL3660681 0.87 KDM4E (0.53) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL23618568 0.86 CA12 (0.33) KDM4EATML3MBTL1HDAC8HDAC6
SCHEMBL23370401 0.86 KDM4E (0.51) KDM4EATML3MBTL1HDAC8HDAC6

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
CN-112745342-A Fused heterocyclic compound and organic electroluminescent device thereof 武汉尚赛光电科技有限公司 2021-05-04 CN disclosed
WO-2017123008-A1 ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DISPLAY DEVICE, AND COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE 덕산네오룩스 주식회사 2017-07-20 WO disclosed