SCHEMBL13908692

SCHEMBL13908692

CNc1ccc(C(=O)NCCS)cc1C(C)(C)C/C=C/c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.33
▸ HDAC10 Q969S8 5/20 0.33
▸ HDAC6 Q9UBN7 5/20 0.33
▸ HDAC8 Q9BY41 4/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ ESRRG P62508 1/20 0.32
▸ APP P05067 1/20 0.32
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ GPR4 P46093 1/20 0.30
▸ HSP90AA1 P07900 2/20 0.30
▸ HSP90AB1 P08238 2/20 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
SCHEMBL13908694 0.79 VDR (0.40) MEN1KMT2A
SCHEMBL13963650 0.65 HDAC3 (0.34) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL14434406 0.64 MEN1 (0.41) ESRRGMEN1KMT2A
SCHEMBL19649169 0.61 HDAC6 (0.36) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL15587287 0.61 CHRM2 (0.41) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL13253683 0.61 PLK1 (0.50) HDAC1HDAC6HDAC8HDAC2ESRRG
SCHEMBL27499157 0.60 CA12 (0.57) APPMEN1KMT2A
SCHEMBL7718268 0.60 APP (0.42) APPMEN1KMT2A
SCHEMBL9915630 0.60 APP (0.42) APPMEN1KMT2A
SCHEMBL9915609 0.60 APP (0.42) APPMEN1KMT2A

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-2009037348-A1 INDOLINIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISNG THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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