SCHEMBL11089059

SCHEMBL11089059

CN1C(=O)C(C(=O)O)Sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GSK3B P49841 6/20 0.41
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
TP53 P04637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11096194 0.83 MEN1 (0.48) ALDH1A1SMN1; SMN2GSK3BMAPTL3MBTL1
SCHEMBL28629788 0.80 GSK3B (0.62) GSK3B
SCHEMBL11089030 0.80 KDM4E (0.55) GSK3BKDM4EHSD17B10PKMTSHR
SCHEMBL11166808 0.77 BCHE (0.49) ALDH1A1SMN1; SMN2GSK3BRAB9AMAPT
SCHEMBL10675503 0.76 MAOA (0.48) MAOAALDH1A1SMN1; SMN2GSK3BRAB9A
SCHEMBL11095086 0.76 KMT2A (0.47) ALDH1A1SMN1; SMN2GSK3BRAB9AMAPT
SCHEMBL9830752 0.75 MAOA (0.44) MAOAALDH1A1SMN1; SMN2GSK3BRAB9A
SCHEMBL20987671 0.75 GSK3B (0.46) SMN1; SMN2GSK3BL3MBTL1MAPK1CYP2C19
SCHEMBL11092372 0.75 CCKBR (0.47) ALDH1A1SMN1; SMN2GSK3BRAB9AMAPT
SCHEMBL7289212 0.75 MAOA (0.47) MAOAALDH1A1SMN1; SMN2GSK3BRAB9A

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
EP-0055917-B1 NEW BENZOTHIAZINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-11-21 EP disclosed
EP-0055917-A1 New benzothiazine derivatives, processes for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-14 EP disclosed