SCHEMBL9045115

SCHEMBL9045115

CSc1nc2ccc(N3C(=O)O[C@H](OS(C)(=O)=O)C3C)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.43
KEAP1 Q14145 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 6/20 0.39
LMNA P02545 5/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLO1 Q04760 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8991488 0.72 PKM (0.41) PKMKEAP1ALDH1A1HTTLMNA
SCHEMBL7309060 0.69 CA12 (0.43) LMNATSHRRAB9A
SCHEMBL8991274 0.66 MAOA (0.51) PKMKEAP1ALDH1A1HPGDTSHR
SCHEMBL9044273 0.66 KEAP1 (0.47) PKMKEAP1ALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL8991509 0.65 KEAP1 (0.46) PKMKEAP1ALDH1A1HTTLMNA
SCHEMBL8351968 0.64 MAPT (0.37) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL8115545 0.63 KEAP1 (0.43) PKMKEAP1ALDH1A1HTTLMNA
SCHEMBL8115548 0.62 MAOA (0.55) LMNA
SCHEMBL1105811 0.61 PKM (0.74) PKMKEAP1ALDH1A1HTTLMNA
SCHEMBL14327113 0.61 KEAP1 (0.65) PKMKEAP1ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8081463-A None JP disclosed
JP-H0881463-A BENZOAZOLYL-AND BENZOTHIAZOLYLOXAZOLIDINONES BAYER AG 1996-03-26 JP disclosed
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP disclosed