SCHEMBL5879858

SCHEMBL5879858

COc1cccc(CC(=O)N/N=C/c2ncccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
LMNA P02545 7/20 0.43
ALDH1A1 P00352 6/20 0.43
CSNK1D P48730 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
FFAR2 O15552 1/20 0.42
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
GRK5 P34947 1/20 0.40
GRK3 P35626 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
UBE2N P61088 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
SGK1 O00141 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
SCHEMBL5879862 1.00 MAPT (0.43) MAPTLMNAALDH1A1CSNK1DDGAT2
SCHEMBL5879822 0.90 MAPT (0.51) MAPTLMNAALDH1A1RXFP1CYP1A2
SCHEMBL5879818 0.90 MAPT (0.51) MAPTLMNAALDH1A1RXFP1CYP1A2
SCHEMBL5879917 0.90 FFAR2 (0.41) MAPTLMNAALDH1A1CSNK1DFFAR2
SCHEMBL5879913 0.90 FFAR2 (0.41) MAPTLMNAALDH1A1CSNK1DFFAR2
SCHEMBL5880215 0.89 MAPT (0.46) MAPTLMNAALDH1A1CSNK1DFFAR2
SCHEMBL5880218 0.89 MAPT (0.46) MAPTLMNAALDH1A1CSNK1DFFAR2
SCHEMBL5880014 0.88 MAPT (0.45) MAPTLMNAALDH1A1CSNK1DFFAR2
SCHEMBL5880269 0.88 MAPT (0.45) MAPTLMNAALDH1A1CSNK1DFFAR2
SCHEMBL5880265 0.88 MAPT (0.45) MAPTLMNAALDH1A1CSNK1DFFAR2

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