SCHEMBL4339779

SCHEMBL4339779

NC(=O)CCSSc1ccccn1.O=CC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL76157 0.94 ALDH1A1 (0.55) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Ethylene Glycol SCHEMBL21359817 0.90 ALDH1A1 (0.51) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL15927528 0.87 ALDH1A1 (0.50) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL8737870 0.85 ALDH1A1 (0.53) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Hexanoate SCHEMBL30182683 0.82 ALDH1A1 (0.50) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL98030 0.82 ALDH1A1 (0.73) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL29811281 0.82 ALDH1A1 (0.73) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Succinic Acid SCHEMBL28529727 0.80 ALDH1A1 (0.71) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL8681802 0.80 ALDH1A1 (0.57) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL13739021 0.80 ALDH1A1 (0.57) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A

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
US-7569695-B2 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization ENZO LIFE SCIENCES, INC. (US) 2009-08-04 US claimed