SCHEMBL28610029

SCHEMBL28610029

NC(=O)Oc1cccc(SCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.39
PKM P14618 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
GFER P55789 1/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL21623771 0.78 RAB9A (0.41) POLBMAPTPKMTSHRLMNA
SCHEMBL10768300 0.78 MEN1 (0.52) POLBMAPTPKMTSHRLMNA
SCHEMBL2409303 0.77 RAB9A (0.47) MAPTPKMLMNAKMT2ARAB9A
SCHEMBL9868149 0.74 PTGS2 (0.42) POLBMAPTPKMTSHRLMNA
SCHEMBL28722535 0.73 PPARG (0.42) POLBPKMTSHRLMNAKMT2A
SCHEMBL28718970 0.72 POLB (0.47) POLBMAPTPKMLMNAKMT2A
SCHEMBL28705572 0.72 ALDH1A1 (0.42) POLBPKMKMT2APPARGRAB9A
SCHEMBL8979785 0.72 RAB9A (0.56) POLBMAPTPKMLMNAKMT2A
SCHEMBL29464867 0.72 RAB9A (0.56) POLBMAPTPKMLMNAKMT2A
SCHEMBL22982321 0.71 L3MBTL1 (0.51) POLBMAPTPKMTSHRLMNA

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-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed
CN-113226464-A N- (pyridin-2-ylsulfonyl) cyclopropanecarboxamide derivatives and their use in the treatment of CFTR mediated diseases 诺华股份有限公司 2021-08-06 CN disclosed