SCHEMBL5880265

SCHEMBL5880265

COc1cccc(CC(=O)N/N=C/c2c(F)cccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
ALDH1A1 P00352 7/20 0.45
LMNA P02545 6/20 0.45
CSNK1D P48730 1/20 0.42
PTGS2 P35354 2/20 0.42
FFAR2 O15552 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
SGK1 O00141 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
EYA2 O00167 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
UBE2N P61088 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL5880269 1.00 MAPT (0.45) MAPTALDH1A1LMNACSNK1DPTGS2
SCHEMBL5880218 0.93 MAPT (0.46) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5880215 0.93 MAPT (0.46) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5880010 0.92 MAPT (0.45) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5880014 0.92 MAPT (0.45) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5879982 0.91 GRK2 (0.43) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5879985 0.91 GRK2 (0.43) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5879717 0.91 MAPT (0.54) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL5879720 0.91 MAPT (0.54) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL5879719 0.89 ALDH1A1 (0.49) MAPTALDH1A1LMNACSNK1DFFAR2

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