SCHEMBL23843532

SCHEMBL23843532

CC(C)(C)OC(=O)CCCN1C(=O)c2cccc3c(N(c4ccccc4)c4ccccc4)ccc(c23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC3 O15379 4/20 0.49
▸ HDAC11 Q96DB2 4/20 0.49
▸ HDAC8 Q9BY41 4/20 0.49
▸ NCOR2 Q9Y618 4/20 0.49
▸ POLB P06746 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 8/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41

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
SCHEMBL23843378 0.89 POLB (0.47) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL23843534 0.85 MEN1 (0.60) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL23843380 0.81 ALDH1A1 (0.60) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL12638925 0.79 KMT2A (0.61) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL6503782 0.76 KMT2A (0.56) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL25667511 0.75 HDAC8 (0.58) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL23843379 0.73 MEN1 (0.57) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL23833525 0.72 MEN1 (0.49) HDAC1HDAC6HDAC3HDAC11HDAC8
SCHEMBL11327841 0.72 HPGD (0.58) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL19757521 0.71 ALDH1A1 (0.52) POLBALDH1A1KDM4ELMNAKMT2A

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
WO-2021188392-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2021-09-23 — — WO disclosed
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