SCHEMBL5879923

SCHEMBL5879923

COc1ccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
XBP1 P17861 1/20 0.45
MAPT P10636 8/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EYA2 O00167 1/20 0.45
TP53 P04637 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
SGK1 O00141 1/20 0.44
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL5879919 1.00 LMNA (0.45) LMNACYP3A4CYP2C9XBP1MAPT
SCHEMBL5879602 0.93 MAPT (0.49) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL5879603 0.93 MAPT (0.49) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL5879907 0.88 LMNA (0.51) LMNACYP3A4CYP2C9MAPTALDH1A1
SCHEMBL5879910 0.88 LMNA (0.51) LMNACYP3A4CYP2C9MAPTALDH1A1
SCHEMBL5880285 0.87 LMNA (0.49) LMNACYP2C9MAPTALDH1A1KMT2A
SCHEMBL5880282 0.87 LMNA (0.49) LMNACYP2C9MAPTALDH1A1KMT2A
SCHEMBL5879904 0.87 KMT2A (0.52) LMNACYP3A4CYP2C9MAPTALDH1A1
SCHEMBL5879902 0.87 KMT2A (0.52) LMNACYP3A4CYP2C9MAPTALDH1A1
SCHEMBL5880151 0.87 LMNA (0.47) LMNACYP3A4CYP2C9MAPTALDH1A1

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