SCHEMBL16631679

SCHEMBL16631679

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DGAT1 O75907 11/20 0.34
HCAR2 Q8TDS4 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL16631430 0.84 KDM4E (0.36) KDM4EALDH1A1DGAT1HCAR2CYP1A2
SCHEMBL18081962 0.82 NOTUM (0.34) KDM4EALDH1A1DGAT1CYP1A2CYP2C9
SCHEMBL18080513 0.79 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL16631707 0.72 KMT2A (0.31)
SCHEMBL16631452 0.72 L3MBTL1 (0.33) KDM4E
SCHEMBL18081918 0.72 NOTUM (0.35) KDM4EALDH1A1DGAT1CYP1A2CYP2C9
SCHEMBL16631922 0.70 L3MBTL1 (0.35) KDM4EALDH1A1
SCHEMBL16631684 0.70 KDM4E (0.33) KDM4EALDH1A1DGAT1
SCHEMBL16631705 0.69 TNKS (0.33) KDM4EALDH1A1
SCHEMBL18080475 0.69 KDM4E (0.33) KDM4EALDH1A1DGAT1CYP1A2CYP2C9

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