SCHEMBL16848538

SCHEMBL16848538

C=C1c2ccc3c4c(ccc(c24)C(=C)N1c1cc(Cn2c4ccccc4c4ccccc42)cc(-n2c4ccccc4c4ccccc42)c1)C(=C)N(c1cc(C(C)(C)c2ccc(O)c(N4C(=C)c5ccc6c7c(ccc(c57)C4=C)C(=C)N(c4cc(Cn5c7ccccc7c7ccccc75)cc(-n5c7ccccc7c7ccccc75)c4)C6=C)c2)ccc1O)C3=C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CYP19A1 P11511 1/20 0.30
▸ SRC P12931 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
SCHEMBL21524805 0.78 ESR1 (0.38) —
SCHEMBL16848539 0.77 — —
SCHEMBL16848541 0.73 — —
SCHEMBL21524848 0.70 HSP90AA1 (0.33) —
SCHEMBL21524804 0.68 POLB (0.40) —
SCHEMBL22416329 0.65 — —
SCHEMBL22416328 0.64 KDM4E (0.42) —
SCHEMBL16848547 0.64 TYMS (0.34) —
SCHEMBL22416323 0.62 ESR1 (0.43) HDAC1HDAC6
SCHEMBL24176393 0.62 KDM4E (0.41) —

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-20150179714-A1 Crosslinkable, /Polymerizable and Combinations Thereof Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications and Mothod of Making Same. Molaire Consulting 2015-06-25 — — US disclosed
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