SCHEMBL21705653

SCHEMBL21705653

O=C(O)c1csc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MMP2 P08253 3/20 0.49
MMP13 P45452 3/20 0.49
MMP1 P03956 2/20 0.49
MMP9 P14780 2/20 0.49
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
PLA2G4A P47712 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P4HTM Q9NXG6 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
SCHEMBL25753515 0.82 TDP1 (0.50) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL22005509 0.82 MAPK1 (0.54) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL19879688 0.79 KMT2A (0.49) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL2725354 0.78 RAB9A (0.54) ALDH1A1TDP1KMT2ALMNARAB9A
SCHEMBL24487505 0.77 TDP1 (0.50) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL22644077 0.77 ALDH1A1 (0.60) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL20255429 0.77 HIF1A (0.56) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL27458875 0.76 PRKCZ (0.44) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL29616312 0.75 RAB9A (0.51) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL1244820 0.75 TDP1 (0.57) ALDH1A1TDP1KMT2ASLC6A2SLC6A3

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-2020030924-A1 THIAZOLEUREAS AS ANTICANCER AGENTS ARTIOS PHARMA LIMITED (GB) 2020-02-13 WO disclosed