SCHEMBL7550285

SCHEMBL7550285

CNC(C)CC=Cc1cccc(N(C)C)c1.Cc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NR1H4 Q96RI1 3/20 0.34
HDAC4 P56524 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL7550283 1.00 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1POLBNR1H4
SCHEMBL7546223 0.84 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1NR1H4HDAC4
SCHEMBL7546225 0.84 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1NR1H4HDAC4
SCHEMBL7548331 0.76 ALDH1A1 (0.41) CHRNB2CHRNA4ALDH1A1POLBLMNA
SCHEMBL7548332 0.76 ALDH1A1 (0.41) CHRNB2CHRNA4ALDH1A1POLBLMNA
SCHEMBL7545910 0.69 ALDH1A1 (0.41) ALDH1A1NR1H4HDAC4MAPTMAPK1
SCHEMBL7545918 0.69 ALDH1A1 (0.41) ALDH1A1NR1H4HDAC4MAPTMAPK1
SCHEMBL6255110 0.66 CHRNB2 (0.56) CHRNB2CHRNA4MAPTGFER
SCHEMBL6253108 0.66 CHRNB2 (0.56) CHRNB2CHRNA4MAPTGFER
SCHEMBL6253103 0.66 CHRNB2 (0.56) CHRNB2CHRNA4MAPTGFER

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
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed