SCHEMBL28024698

SCHEMBL28024698

NC(OC(=O)c1ccccc1)[S+]=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL1200862 0.79 TSHR (0.63) TSHRTP53LMNAF2PDCD1
SCHEMBL23777037 0.76 TSHR (0.59) TSHRTP53LMNAF2PDCD1
SCHEMBL601643 0.76 TSHR (0.59) TSHRTP53LMNAF2PDCD1
SCHEMBL11474021 0.74 TSHR (0.57) TSHRTP53LMNAF2PDCD1
SCHEMBL4445835 0.74 TSHR (0.57) TSHRTP53LMNAF2PDCD1
SCHEMBL27926613 0.74 TSHR (0.57) TSHRTP53LMNAF2PDCD1
SCHEMBL12977332 0.74 TSHR (0.57) TSHRTP53LMNAF2PDCD1
SCHEMBL11505949 0.73 TSHR (0.55) TSHRTP53LMNAF2PDCD1
SCHEMBL29134108 0.73 TSHR (0.55) TSHRTP53LMNAF2PDCD1
SCHEMBL9615408 0.73 TSHR (0.55) TSHRTP53LMNAF2PDCD1

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
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed