SCHEMBL8679253

SCHEMBL8679253

COC(=S)c1ccc(C)c(OC(F)F)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 4/20 0.33
HTT P42858 3/20 0.33
MAPK1 P28482 1/20 0.31
ALOX12 P18054 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALPL P05186 1/20 0.30
PKM P14618 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
SCHEMBL8680145 0.83 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6582258 0.81 LMNA (0.33) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8680142 0.79 HTT (0.33) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2531130 0.77 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13980116 0.74 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2A
SCHEMBL8679249 0.73 HTT (0.32) GAAHTT
SCHEMBL12433432 0.72 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6584600 0.72 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL25527063 0.70 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL30463491 0.67 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2AGAA

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
US-5834404-A Substituted bicycloheptanedione derivative and herbicide NIPPON SODA CO., LTD. (JP) 1998-11-10 US disclosed
EP-0791572-A1 SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-08-27 EP disclosed