SCHEMBL5879917

SCHEMBL5879917

O=C(Cc1cccc(Cl)c1)NN=Cc1ncccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.41
CSNK1D P48730 1/20 0.40
CTH P32929 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX4 Q99571 1/20 0.39
ADCYAP1R1 P41586 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5879913 1.00 FFAR2 (0.41) FFAR2CSNK1DCTHTRPV1KDM4E
SCHEMBL5879862 0.90 MAPT (0.43) FFAR2CSNK1DKDM4ENPSR1CYP1A2
SCHEMBL5879858 0.90 MAPT (0.43) FFAR2CSNK1DKDM4ENPSR1CYP1A2
SCHEMBL5879841 0.88 KMT2A (0.49) FFAR2CSNK1DKDM4EPKMNPSR1
SCHEMBL5879837 0.88 KMT2A (0.49) FFAR2CSNK1DKDM4EPKMNPSR1
SCHEMBL5879755 0.87 CSNK1D (0.43) FFAR2CSNK1DKDM4EPKMNPSR1
SCHEMBL5879752 0.87 CSNK1D (0.43) FFAR2CSNK1DKDM4EPKMNPSR1
SCHEMBL5879897 0.87 LMNA (0.44) FFAR2CSNK1DKDM4EPKMNPSR1
SCHEMBL5879903 0.87 LMNA (0.44) FFAR2CSNK1DKDM4EPKMNPSR1
SCHEMBL5880168 0.86 SGK1 (0.44) FFAR2KDM4ELMNAMEN1KMT2A

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-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed