SCHEMBL16631430

SCHEMBL16631430

CCc1cc2c(F)cc(C(F)(F)F)[nH]c-2nc1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
DGAT1 O75907 10/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TRPA1 O75762 1/20 0.33
AR P10275 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL16631679 0.84 KDM4E (0.38) KDM4EALDH1A1HCAR2DGAT1CYP1A2
SCHEMBL18081918 0.82 NOTUM (0.35) KDM4EALDH1A1DGAT1CYP1A2CYP2C9
SCHEMBL18080475 0.78 KDM4E (0.33) KDM4EALDH1A1DGAT1CYP1A2CYP2C9
SCHEMBL16631474 0.75 DGAT1 (0.41) DGAT1
SCHEMBL16631746 0.73 MAP4K1 (0.32) HCAR2
SCHEMBL16631912 0.72 HSP90AA1 (0.33) HCAR2
SCHEMBL18081962 0.72 NOTUM (0.34) KDM4EALDH1A1DGAT1CYP1A2CYP2C9
SCHEMBL16631382 0.71 NOTUM (0.36) KDM4EALDH1A1DGAT1CYP1A2CYP2C9
SCHEMBL16631478 0.70 HCAR2 (0.34) HCAR2AR
SCHEMBL16631411 0.68 TNKS (0.36) HCAR2CYP1A2HPGD

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed