SCHEMBL22504306

SCHEMBL22504306

Cc1cc2sccc2c2sccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.36
CYP2A6 P11509 3/20 0.34
CSNK2A1 P68400 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL26080844 0.83 KDM4E (0.42) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL18133632 0.80 CSNK2A1 (0.33) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL21319559 0.78 MAPT (0.40) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL18875993 0.76 MAPT (0.33) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL20126952 0.76 KDM4E (0.39) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL131396 0.76 KDM4E (0.43) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL29594290 0.76 KDM4E (0.43) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL20146542 0.75 KDM4E (0.36) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL22504304 0.75 MAPT (0.45) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL22504301 0.74 MAPT (0.36) MAPTKDM4ETSHRCYP2A6CSNK2A1

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
WO-2020203594-A1 FLUORENE DERIVATIVE AND USE THEREOF 日産化学株式会社 2020-10-08 WO disclosed