SCHEMBL6026672

SCHEMBL6026672

CCOC(=O)C1=CNc2cc(C(F)(F)F)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
MAPT P10636 7/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CFTR P13569 1/20 0.36

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
SCHEMBL29008018 0.78 TSHR (0.45) ATMMAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL29008069 0.77 TSHR (0.44) ATMMAPTKDM4EMEN1KMT2A
SCHEMBL10731063 0.76 RAB9A (0.40) ATMMAPTKDM4EMEN1KMT2A
SCHEMBL28549992 0.74 L3MBTL1 (0.37) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL4626316 0.71 KDM4E (0.32) ATMMAPTKDM4EMEN1KMT2A
SCHEMBL4691963 0.71 CA12 (0.50) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30719997 0.69 KDM4E (0.68) ATMMAPTKDM4EMEN1KMT2A
SCHEMBL926927 0.69 KDM4E (0.68) ATMMAPTKDM4EMEN1KMT2A
SCHEMBL668192 0.69 CA12 (0.61) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL16647662 0.69 MRGPRX4 (0.51) MAPTKDM4EMEN1KMT2AHSP90AA1

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
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP disclosed