SCHEMBL7266307

SCHEMBL7266307

O=S(=O)(O)CCCN1CCSc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
TP53 P04637 4/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NOTUM Q6P988 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
MMP13 P45452 1/20 0.40

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
SCHEMBL4330783 0.86 MAPT (0.41) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL4823007 0.78 ALDH1A1 (0.45) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL7528285 0.77 MAPT (0.50) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL3139264 0.77 MAPT (0.37) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL2168308 0.75 ALDH1A1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
Ammonia Solution, Strong SCHEMBL8821900 0.75 MAPT (0.36) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL7258139 0.74 POLB (0.50) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL5112777 0.74 ALDH1A1 (0.45) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL3965014 0.74 MAPT (0.52) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL3965007 0.74 MAPT (0.52) MAPTTP53ALDH1A1KDM4EMEN1

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
WO-2003099800-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BICYCLIC ANTIDIABETIC AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-04 WO disclosed