SCHEMBL2906772

SCHEMBL2906772

NC(=S)C(C(N)=S)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
ANPEP P15144 1/20 0.48
TPMT P51580 1/20 0.46
SRD5A2 P31213 3/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL1753679 0.78 TSHR (0.48) TSHRTP53ANPEPTPMTSRD5A2
SCHEMBL1972179 0.75 TSHR (0.63) TSHRTP53TPMTSRD5A2CA1
SCHEMBL6686015 0.75 SRC (0.50) TSHRTP53TYRALDH1A1
SCHEMBL6686339 0.74 SRC (0.56) SMN1; SMN2CYP2C19CES2CES1
SCHEMBL14488137 0.74 ANPEP (0.57) TSHRTP53ANPEPTPMTSRD5A2
SCHEMBL1753887 0.74 TSHR (0.55) TSHRTP53ANPEPTPMTSRD5A2
Terephthalic Acid SCHEMBL27473772 0.74 TSHR (0.80) TSHRTP53TPMTSRD5A2CA1
SCHEMBL2593577 0.73 ANPEP (0.61) TSHRTP53ANPEPTPMTSRD5A2
SCHEMBL27315463 0.73 ANPEP (0.61) TSHRTP53ANPEPTPMTSRD5A2
SCHEMBL8138198 0.72 ANPEP (0.55) TSHRTP53ANPEPTPMTSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507659-B2 Method for chemically modifying biopolymer and polypeptide FUJIFILM CORPORATION (JP) 2013-08-13 US claimed
EP-2221334-B1 METHOD FOR CHEMICALLY MODIFYING BIOPOLYMER AND POLYPEPTIDE FUJIFILM CORP (JP) 2016-12-28 EP disclosed
US-8507659-B2 Method for chemically modifying biopolymer and polypeptide FUJIFILM CORPORATION (JP) 2013-08-13 US disclosed
US-20100323421-A1 METHOD FOR CHEMICALLY MODIFYING BIOPOLYMER AND POLYPEPTIDE FUJIFILM CORPORATION (JP) 2010-12-23 US disclosed
EP-2221334-A1 METHOD FOR CHEMICALLY MODIFYING BIOPOLYMER OR POLYPEPTIDE FUJIFILM Corporation (JP) 2010-08-25 EP disclosed