SCHEMBL5702154

SCHEMBL5702154

CCN(C(=O)O)c1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 8/20 0.50
MAPT P10636 7/20 0.50
NPC1 O15118 6/20 0.50
LTA4H P09960 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
NOS1 P29475 1/20 0.46

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
SCHEMBL172198 0.79 LTA4H (0.54) ALDH1A1KDM4ERAB9AMAPTNPC1
Bromide SCHEMBL6832827 0.78 RAB9A (0.56) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL7641387 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL130078 0.74 ATP4A (0.60) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL915703 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1771825 0.73 ALDH1A1 (0.79) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL3134414 0.72 KDM4E (1.00) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL27654625 0.72 ALDH1A1 (0.60) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL11404012 0.72 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL3134349 0.71 ALDH1A1 (0.73) ALDH1A1KDM4ERAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP claimed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO claimed
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP disclosed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO disclosed