SCHEMBL7548332

SCHEMBL7548332

CNC(C)CC=Cc1ccc(C)c([N+](=O)[O-])c1.Cc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
GFER P55789 1/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
ALOX12 P18054 1/20 0.36

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
SCHEMBL7548331 1.00 ALDH1A1 (0.41) ALDH1A1HTTMAPTTDP1MAPK1
SCHEMBL7548336 0.88 CHRNB2 (0.43) ALDH1A1HTTMAPTTDP1MAPK1
SCHEMBL7548328 0.88 CHRNB2 (0.43) ALDH1A1HTTMAPTTDP1MAPK1
SCHEMBL7550283 0.76 CHRNB2 (0.43) ALDH1A1MAPTTDP1MAPK1MEN1
SCHEMBL7550285 0.76 CHRNB2 (0.43) ALDH1A1MAPTTDP1MAPK1MEN1
SCHEMBL7547819 0.74 TSHR (0.43) ALDH1A1HTTMAPTTDP1MAPK1
SCHEMBL7547823 0.74 TSHR (0.43) ALDH1A1HTTMAPTTDP1MAPK1
SCHEMBL30430459 0.69 MCOLN3 (0.56) ALDH1A1HTTMAPTMAPK1RECQL
SCHEMBL274368 0.69 MCOLN3 (0.56) ALDH1A1HTTMAPTMAPK1RECQL
SCHEMBL23671598 0.68 ALDH1A1 (0.50) ALDH1A1HTTMAPTTDP1MAPK1

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