SCHEMBL8570582

SCHEMBL8570582

O=c1cc(C(F)(F)F)c2cc(F)c(O)c(F)c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
MCL1 Q07820 1/20 0.50
HSD17B3 P37058 1/20 0.48
CYP1A2 P05177 3/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8571050 0.80 MET (0.51) CSNK2A2CSNK2BCSNK2A1MCL1ALDH1A1
SCHEMBL29391372 0.78 MCL1 (0.55) MCL1HSD17B3CYP1A2ALDH1A1HPGD
SCHEMBL565580 0.78 MCL1 (0.55) MCL1HSD17B3CYP1A2ALDH1A1HPGD
SCHEMBL8639385 0.74 ATP1A1 (0.42) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL669385 0.74 MCL1 (0.56) MCL1ALDH1A1HPGDHSD17B10CASP1
SCHEMBL28065503 0.73 CSNK2A2 (0.73) CSNK2A2CSNK2BCSNK2A1MCL1HSD17B3
Phosphoric Acid SCHEMBL1934555 0.73 MCL1 (0.50) MCL1HSD17B3CYP1A2ALDH1A1HPGD
SCHEMBL875961 0.71 KDM4E (0.39) MCL1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL8564999 0.70 KDM4E (0.38) MCL1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL14925107 0.70 ERN1 (0.51) CSNK2A2CSNK2BCSNK2A1MCL1HSD17B3

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
US-5830912-A Derivatives of 6,8-difluoro-7-hydroxycoumarin MOLECULAR PROBES, INC. (US) 1998-11-03 US disclosed