SCHEMBL28609697

SCHEMBL28609697

O=C(Cc1ccc2ccccc2c1)Nc1ccsc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.76
MAPK8 P45983 9/20 0.76
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
MAPK9 P45984 5/20 0.56
NR1H4 Q96RI1 1/20 0.55
HTT P42858 1/20 0.52
NLRP3 Q96P20 1/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GSK3A P49840 1/20 0.48
RIOK2 Q9BVS4 1/20 0.48
HPGD P15428 1/20 0.48
CASP3 P42574 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PTPN2 P17706 1/20 0.48

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
Formamide SCHEMBL28614988 0.95 MAPK10 (0.70) MAPK10MAPK8KMT2AMEN1MAPK9
SCHEMBL13781543 0.88 MAPK8 (0.60) MAPK10MAPK8KMT2AMEN1MAPK9
SCHEMBL28605289 0.86 MAPK8 (1.00) MAPK10MAPK8KMT2AMEN1MAPK9
SCHEMBL13781554 0.84 HCAR2 (0.68) MAPK10MAPK8KMT2AMEN1MAPK9
SCHEMBL3712355 0.79 MAPK8 (0.81) MAPK10MAPK8KMT2AMAPK9HTT
SCHEMBL28605599 0.79 HCAR2 (0.70) MAPK10MAPK8KMT2AMEN1NR1H4
SCHEMBL3712296 0.77 MAPK10 (0.76) MAPK10MAPK8KMT2AMEN1MAPK9
SCHEMBL9367263 0.76 NR1H4 (0.83) MAPK10MAPK8KMT2AMEN1NR1H4
SCHEMBL2038480 0.74 L3MBTL1 (0.76) MAPK10MAPK8KMT2AMEN1NR1H4
SCHEMBL16737208 0.74 MAPT (0.49) MAPK10MAPK8KMT2AMEN1MAPK9

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-113248399-A O-amino aromatic amide derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2021-08-13 CN disclosed