SCHEMBL7007017

SCHEMBL7007017

O=C(CO)SCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
IDO1 P14902 8/20 0.52
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP2C19 P33261 1/20 0.47
PAM P19021 1/20 0.47
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
TSHR P16473 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 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
SCHEMBL6963636 0.84 TDP1 (0.59) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL3048336 0.83 TDP1 (0.79) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL45253 0.81 TDP1 (0.61) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL10853998 0.81 TDP1 (0.56) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL19406969 0.81 TDP1 (0.56) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL28184258 0.81 TDP1 (0.61) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL4829383 0.81 IDO1 (0.58) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL3070200 0.79 IDO1 (0.71) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL79058 0.79 IDO1 (0.58) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL20113451 0.78 L3MBTL1 (0.53) TDP1L3MBTL1IDO1NOS3NOS1

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-1969371-B1 A METHOD OF PRODUCING A MULTIMERIC CAPTURE AGENT FOR BINDING A LIGAND SHARP KK (JP) 2012-05-16 EP disclosed
CN-1288462-A Oxazolidinone combinatorial libraries, compositions and method of prepn. UPJOHN CO (US) 2001-03-21 CN disclosed