SCHEMBL5879779

SCHEMBL5879779

COc1cccc(CC(=O)NN=Cc2cccc(OC)c2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 7/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SGK1 O00141 1/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
UBE2N P61088 1/20 0.44
CSNK1D P48730 1/20 0.44
FFAR2 O15552 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL5879776 1.00 LMNA (0.56) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5880075 0.92 LMNA (0.45) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5880072 0.92 LMNA (0.45) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5880113 0.92 SGK1 (0.48) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5880115 0.92 SGK1 (0.48) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5879833 0.90 MAPT (0.61) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5879828 0.90 MAPT (0.61) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5880215 0.89 MAPT (0.46) LMNAALDH1A1HTTMAPTCYP1A2
SCHEMBL5880218 0.89 MAPT (0.46) LMNAALDH1A1HTTMAPTCYP1A2
SCHEMBL5879719 0.89 ALDH1A1 (0.49) LMNAALDH1A1HTTMEN1KMT2A

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