SCHEMBL28945200

SCHEMBL28945200

[CH2]C(CS(=O)(=O)O)[C@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APAF1 O14727 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GRK2 P25098 1/20 0.35
UHRF1 Q96T88 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL27812348 1.00 POLB (0.39) POLBMEN1KMT2AAPAF1HTT
SCHEMBL27820798 0.89 POLB (0.38) POLBMEN1KMT2AAPAF1HTT
SCHEMBL27832796 0.82 ALDH1A1 (0.44) KMT2AALDH1A1TRPV1GAA
SCHEMBL592252 0.81 HTT (0.41) POLBMEN1KMT2AAPAF1HTT
SCHEMBL592251 0.81 HTT (0.41) POLBMEN1KMT2AAPAF1HTT
SCHEMBL3375299 0.80 KCNH2 (0.34)
SCHEMBL27818387 0.80 KCNH2 (0.34)
SCHEMBL3333028 0.80 HTT (0.40) POLBHTTALDH1A1LMNATRPV1
SCHEMBL3333023 0.80 HTT (0.40) POLBHTTALDH1A1LMNATRPV1
SCHEMBL592187 0.77 MAOA (0.51) POLBHTTALDH1A1LMNATRPV1

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
CN-102164919-A Oxazolidinyl antibiotics ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
CN-102105467-A Tricyclic alkylaminomethyloxazolidinone derivatives ACTELION PHARMACEUTICALS LTD 2011-06-22 CN disclosed