SCHEMBL5879841

SCHEMBL5879841

O=C(Cc1cccc(Cl)c1)NN=Cc1c(Cl)cccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
FFAR2 O15552 2/20 0.44
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CSNK1D P48730 1/20 0.41
P2RX4 Q99571 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADCYAP1R1 P41586 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5879837 1.00 KMT2A (0.49) KMT2AMEN1FFAR2KDM4EPKM
SCHEMBL5879903 0.92 LMNA (0.44) KMT2AMEN1FFAR2KDM4EPKM
SCHEMBL5879897 0.92 LMNA (0.44) KMT2AMEN1FFAR2KDM4EPKM
SCHEMBL5880166 0.91 SGK1 (0.44) KMT2AMEN1FFAR2KDM4ELMNA
SCHEMBL5880168 0.91 SGK1 (0.44) KMT2AMEN1FFAR2KDM4ELMNA
SCHEMBL5879982 0.91 GRK2 (0.43) KMT2AMEN1FFAR2KDM4EPKM
SCHEMBL5879985 0.91 GRK2 (0.43) KMT2AMEN1FFAR2KDM4EPKM
SCHEMBL5880161 0.89 CYP1A2 (0.49) KMT2AMEN1FFAR2LMNAMAPT
SCHEMBL5880163 0.89 CYP1A2 (0.49) KMT2AMEN1FFAR2LMNAMAPT
SCHEMBL5879917 0.88 FFAR2 (0.41) KMT2AMEN1FFAR2KDM4EPKM

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