SCHEMBL1936397

SCHEMBL1936397

CC(N)NCCN.NC(O)=S

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRR1 P24046 2/20 0.33
GGT1 P19440 1/20 0.32
CPB2 Q96IY4 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL1484286 0.85
SCHEMBL10717497 0.71 CA12 (0.55) ALDH1A1CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL5182502 0.71 CA12 (0.55) ALDH1A1CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL505727 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1965547 0.70
Ammonia Solution, Strong SCHEMBL10718760 0.70 CA12 (0.52) ALDH1A1CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL3360351 0.69 CA12 (0.62) ALDH1A1CYP2C9HPGDALOX15CYP2C19
SCHEMBL817631 0.69
SCHEMBL11444273 0.68 ACE2 (0.38) ALOX15
Carbamic Acid SCHEMBL28243838 0.68 GABRR1 (0.43) ALDH1A1GABRR1GGT1CPB2

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-2331558-A2 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS Agilent Technologies, Inc. (US) 2011-06-15 EP disclosed
WO-2010034024-A2 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2010-03-25 WO disclosed