SCHEMBL9226869

SCHEMBL9226869

COc1ccc(C=CC=Cc2sc(C)c(C3=C(c4c(C)sc5ccc(-c6ccc(OC)cc6)cc45)C(F)(F)C(F)(F)C3(F)F)c2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ HSP90AA1 P07900 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
SCHEMBL3853710 0.93 TUBB1 (0.33) HDAC8HDAC6TUBB1ALOX5
SCHEMBL9226866 0.93 HDAC8 (0.34) HDAC8HDAC6MEN1KMT2ATUBB1
SCHEMBL3853935 0.91 TUBB1 (0.35) MEN1KMT2ATUBB1ALOX5
SCHEMBL3853705 0.88 TUBB1 (0.33) TUBB1ALOX5
SCHEMBL3849455 0.88 INSR (0.39) TUBB1
SCHEMBL3871298 0.88 TUBB1 (0.37) TUBB1ALOX5
SCHEMBL3855184 0.86 RELA (0.36) HDAC8HDAC6TUBB1ALOX5
SCHEMBL3853940 0.85 TUBB1 (0.35) TUBB1ALOX5
SCHEMBL3849458 0.82 INSR (0.39) TUBB1
SCHEMBL3855910 0.82 RELA (0.41) TUBB1ALOX5

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
JP-7242659-A — — None — — JP disclosed
JP-H07242659-A DIARYLETHENE COMPOUND HAVING CONJUGATED DOUBLE BOND CHAIN KANEBO LTD 1995-09-19 — — JP disclosed
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