SCHEMBL13908698

SCHEMBL13908698

CC1(C)C(/C=C/c2ccc(N(CCO)CCO)cc2)=[N+](CC(=O)NCCS)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ APP P05067 3/20 0.49
▸ HDAC3 O15379 5/20 0.32
▸ HDAC1 Q13547 5/20 0.32
▸ HDAC6 Q9UBN7 5/20 0.32
▸ HDAC4 P56524 4/20 0.32
▸ HDAC7 Q8WUI4 4/20 0.32
▸ HDAC2 Q92769 4/20 0.32
▸ HDAC10 Q969S8 4/20 0.32
▸ HDAC11 Q96DB2 4/20 0.32
▸ HDAC8 Q9BY41 4/20 0.32
▸ HDAC9 Q9UKV0 4/20 0.32
▸ HDAC5 Q9UQL6 4/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 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
SCHEMBL13908743 0.88 APP (0.47) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL12668746 0.81 APP (0.52) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL12667837 0.81 APP (0.48) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL12667832 0.78 APP (0.54) MAPTAPPATG4BMEN1LMNA
SCHEMBL12667839 0.77 APP (0.53) MAPTAPPATG4B
SCHEMBL12667824 0.77 APP (0.53) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL17320723 0.77 MAPT (0.55) MAPTAPPATG4BMEN1NPC1
SCHEMBL12668761 0.76 APP (0.52) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL12667826 0.76 APP (0.54) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL13327539 0.75 MEN1 (0.41) MAPTHDAC3HDAC1HDAC6HDAC4

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
Send feedback