SCHEMBL6284802

SCHEMBL6284802

COc1cccc2cc(C(=O)Nc3ccccc3N)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TMIGD3 P0DMS9 1/20 0.50
ADORA1 P30542 1/20 0.50
CHRNA7 P36544 3/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MAPT P10636 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL6288990 0.83 HDAC1 (0.51) LMNAPOLBTDP1SMN1; SMN2TMIGD3
SCHEMBL6284804 0.81 CA2 (0.49) LMNATDP1SMN1; SMN2TMIGD3ADORA1
SCHEMBL12663172 0.78 HDAC2 (0.70) TMIGD3ADORA1HDAC1HDAC2HDAC3
SCHEMBL6280292 0.77 NPC1 (0.65) LMNASMN1; SMN2HDAC1HDAC2MAPT
SCHEMBL3254246 0.76 GAA (0.57) POLBSMN1; SMN2MAPTRXFP1NPC1
SCHEMBL2895989 0.76 ALDH1A1 (0.55) LMNATMIGD3ADORA1CHRNA7HDAC1
Anthranilamide SCHEMBL6284801 0.75 CA2 (0.43) LMNAPOLBADORA1CHRNA7MAPT
SCHEMBL3561314 0.74 HDAC1 (0.52) TMIGD3ADORA1HDAC1HDAC2KDM4E
SCHEMBL1850788 0.74 CA2 (0.53) LMNASMN1; SMN2TMIGD3ADORA1CHRNA7
SCHEMBL3579035 0.74 HDAC1 (0.65) SMN1; SMN2HDAC1HDAC2HDAC3HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005508311-A 2005-03-31 JP claimed
EP-1416928-A2 N-MONOACYLATED DERIVATIVES OF O-PHENYLENEDIAMINES, THEIR SIX MEMBERED HETEROCYCLIC ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP claimed
WO-2003013484-A2 N-MONOACYLATED DERIVATIVES OF O-PHENYLENEDIAMINES, THEIR SIX MEMBERED HETEROCYCLIC ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-20 WO claimed