SCHEMBL7780894

SCHEMBL7780894

CC1(C)[N]C(=S)c2ccccc2O1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.31
ALDH1A1 P00352 3/20 0.31
OPRD1 P41143 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
OPRK1 P41145 1/20 0.31
BACE1 P56817 2/20 0.31
GLA P06280 1/20 0.31
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30
CDC25C P30307 1/20 0.30

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
SCHEMBL7784334 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHPGDGLACDC25A
SCHEMBL7781821 0.72 ALDH1A1 (0.43) KCNH2ALDH1A1OPRD1MAPTOPRK1
SCHEMBL16541598 0.71 MAPK1 (0.37) KCNH2ALDH1A1OPRD1MAPTHPGD
SCHEMBL1711531 0.69 ALDH1A1 (0.37) KCNH2ALDH1A1MAPTHPGDBACE1
SCHEMBL13194218 0.69 BACE1 (0.48) KCNH2ALDH1A1MAPTHPGDBACE1
SCHEMBL4846205 0.65 KMT2A (0.40) KCNH2ALDH1A1OPRD1MAPTHPGD
SCHEMBL13009960 0.63 IDO1 (0.34) KCNH2ALDH1A1OPRD1MAPTHPGD
SCHEMBL31395276 0.62 KDM4E (0.38) KCNH2ALDH1A1OPRD1MAPTOPRK1
SCHEMBL29191735 0.61 ALDH1A1 (0.39) KCNH2ALDH1A1OPRD1MAPTHPGD
SCHEMBL2855210 0.61 ALDH1A1 (0.43) ALDH1A1MAPTHPGD

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-0635488-B1 Novel process for preparing azetidinone compound and novel starting compound therefor TANABE SEIYAKU CO (JP) 2001-09-26 EP claimed
US-5550229-A REACTING SPECIFIED ALKANAMIDE WITH SUBSTITUTED AZETIDINONE IN PRESENCE OF BASE TANABE SEIYAKU CO., LTD. (JP) 1996-08-27 US claimed