SCHEMBL17553232

SCHEMBL17553232

COC(=O)c1c(-c2ccc(F)cc2)nn2cc(NCCO)c(-c3cccc(C(=O)O)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGDR Q13258 1/20 0.36
DHODH Q02127 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 2/20 0.36
STIM1 Q13586 2/20 0.35
ORAI1 Q96D31 2/20 0.35
DGAT2 Q96PD7 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
MAPK14 Q16539 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL2987950 0.87 BRAF (0.36) MEN1KMT2ADHODHLMNASTIM1
SCHEMBL1936462 0.81 MEN1 (0.34) MEN1KMT2ADHODHLMNASTIM1
SCHEMBL2994049 0.78 BRAF (0.35) DHODHCNR2DGAT2CSNK1DCSNK1E
SCHEMBL9911854 0.73 LMNA (0.31) MEN1KMT2ADHODHLMNADGAT2
SCHEMBL2984759 0.73 CYP2C8 (0.40) CNR2DGAT2AKT1
SCHEMBL12330144 0.72 PPARG (0.39) DGAT2CSNK1DCSNK1E
SCHEMBL2996833 0.72 BRAF (0.35) MEN1KMT2ADGAT2CSNK1DCSNK1E
SCHEMBL2464199 0.72 PPARG (0.34) DGAT2CSNK1DCSNK1E
SCHEMBL2994355 0.71 BRAF (0.36) CNR2DGAT2CSNK1DCSNK1E
SCHEMBL2989353 0.71 BRAF (0.46) DHODH

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-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed