SCHEMBL7101430

SCHEMBL7101430

CCC(F)Oc1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MAOB P27338 8/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 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
SCHEMBL5961828 0.87 KDM4E (0.37) KDM4EALDH1A1LMNAKMT2ACYP1A2
SCHEMBL7928275 0.80 KDM4E (0.49) KDM4EMAOBALDH1A1HSD17B10LMNA
SCHEMBL22904 0.79 DRD1 (0.46) KDM4EMAOBALDH1A1HSD17B10LMNA
SCHEMBL29539883 0.79 DRD1 (0.46) KDM4EMAOBALDH1A1HSD17B10LMNA
SCHEMBL9324046 0.79 KDM4E (0.45) KDM4EMAOBALDH1A1HSD17B10LMNA
SCHEMBL3721242 0.77 KDM4E (0.44) KDM4EMAOBALDH1A1HSD17B10LMNA
SCHEMBL27576691 0.77 SLC6A4 (0.43) ALDH1A1LMNAMAPT
SCHEMBL3824500 0.76 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL16032169 0.76 MAOB (0.43) KDM4EMAOBALDH1A1HSD17B10LMNA
SCHEMBL30693956 0.76 MAOB (0.43) KDM4EMAOBALDH1A1HSD17B10LMNA

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
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed