SCHEMBL11832467

SCHEMBL11832467

FC(F)(F)c1cccc(SCCl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KIF11 P52732 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3646830 0.85 KDM4E (0.49) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL27722503 0.82 KDM4E (0.53) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL5248068 0.81 KDM4E (0.51) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL2647186 0.81 KDM4E (0.51) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL18680739 0.81 ALDH1A1 (0.54) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL27870807 0.81 KDM4E (0.55) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL11449929 0.79 KIF11 (0.57) KDM4EGAAALDH1A1POLBATM
SCHEMBL3646958 0.78 KDM4E (0.49) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL12879674 0.78 GAA (0.52) KDM4EGAAALDH1A1POLBMAPT
SCHEMBL10800363 0.78 TSHR (0.48) KDM4EGAAALDH1A1POLBMAPT

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-3981886-A Amino-benzimidazole derivatives E. R. SQUIBB & SONS, INC. (US) 1976-09-21 US disclosed