SCHEMBL24784133

SCHEMBL24784133

O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccco2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 3/20 1.00
CYP2B6 P20813 3/20 1.00
SCD5 Q86SK9 16/20 0.82
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
SCD O00767 4/20 0.70
ALDH1A1 P00352 2/20 0.67
POLB P06746 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL29616541 1.00 CYP2C8 (1.00) CYP2C8CYP2B6SCD5CYP2C9CYP2C19
SCHEMBL21523623 0.91 SCD5 (1.00) CYP2C8CYP2B6SCD5CYP2C9CYP2C19
SCHEMBL22619737 0.87 CYP2C8 (0.83) CYP2C8CYP2B6SCD5CYP2C9CYP2C19
SCHEMBL21523801 0.86 SCD5 (1.00) CYP2C8CYP2B6SCD5SCDALDH1A1
SCHEMBL21523680 0.86 SCD5 (1.00) CYP2C8CYP2B6SCD5SCDALDH1A1
SCHEMBL21523700 0.86 SCD5 (1.00) CYP2C8CYP2B6SCD5SCDALDH1A1
SCHEMBL22619879 0.86 SCD5 (0.87) CYP2C8CYP2B6SCD5CYP2C9CYP2C19
SCHEMBL22619895 0.86 CYP2C8 (0.75) CYP2C8CYP2B6SCD5CYP2C9CYP2C19
SCHEMBL22619866 0.86 CYP2C8 (0.75) CYP2C8CYP2B6SCD5CYP2C9CYP2C19
SCHEMBL22619686 0.85 CYP2C8 (0.75) CYP2C8CYP2B6SCD5CYP2C9CYP2C19

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-2022266232-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC LIVER DISEASE AND HEPATOCELLULAR CARCINOMA Sanford Burnham Prebys Medical Discovery Institute (US) 2022-12-22 WO disclosed