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Sugi Predict / Compounds / SCHEMBL4629166

SCHEMBL4629166

SCHEMBL4629166

c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cccc2c1.c1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc3)c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc2c1

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
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PER2 O15055 1/20 0.32
▸ CRY1 Q16526 1/20 0.32
▸ CRY2 Q49AN0 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ SIGMAR1 Q99720 3/20 0.32
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 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
SCHEMBL4618052 1.00 KDM4E (0.41) KDM4EATML3MBTL1F2F10
SCHEMBL4439045 0.98 KDM4E (0.43) KDM4EATML3MBTL1F2F10
SCHEMBL6250360 0.95 L3MBTL1 (0.37) KDM4EATML3MBTL1PER2CRY1
SCHEMBL19738439 0.94 KDM4E (0.38) KDM4EATML3MBTL1F2F10
SCHEMBL26003205 0.93 KDM4E (0.38) KDM4EATML3MBTL1F2F10
SCHEMBL15138320 0.93 KDM4E (0.38) KDM4EATML3MBTL1F2F10
SCHEMBL19238741 0.92 KDM4E (0.40) KDM4EATML3MBTL1F2F10
SCHEMBL19238742 0.92 KDM4E (0.40) KDM4EATML3MBTL1F2F10
SCHEMBL24743798 0.92 KDM4E (0.39) KDM4EATML3MBTL1F2F10
SCHEMBL18998343 0.91 KDM4E (0.35) KDM4EATML3MBTL1

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-1981949-A1 ELECTROLUMINESCENT DEVICE CONTAINING A BUTADIENE DERIVATIVE EASTMAN KODAK COMPANY (US) 2008-10-22 — — EP disclosed
WO-2007075268-A1 ELECTROLUMINESCENT DEVICE CONTAINING A BUTADIENE DERIVATIVE EASTMAN KODAK COMPANY (US) 2007-07-05 — — WO disclosed