SCHEMBL7686797

SCHEMBL7686797

CC(=O)/C=C/c1cc(C)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
IAPP P10997 2/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
NFE2L2 Q16236 3/20 0.38
MIF P14174 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL7686801 1.00 MAPT (0.44) MAPTLMNAIAPPKDM4ETDP1
SCHEMBL14926713 0.86 NFE2L2 (0.49) MAPTLMNAIAPPKDM4ETDP1
SCHEMBL5199333 0.86 MIF (0.53) MAPTLMNAKDM4EALDH1A1CYP1A1
SCHEMBL5199344 0.86 MIF (0.53) MAPTLMNAKDM4EALDH1A1CYP1A1
SCHEMBL6793792 0.85 NFE2L2 (0.53) MAPTLMNAIAPPKDM4ETDP1
SCHEMBL6793789 0.85 NFE2L2 (0.53) MAPTLMNAIAPPKDM4ETDP1
SCHEMBL30022725 0.85 NFE2L2 (0.53) MAPTLMNAIAPPKDM4ETDP1
SCHEMBL7683617 0.82 MAPT (0.44) MAPTLMNAIAPPKDM4ETDP1
SCHEMBL7683621 0.82 MAPT (0.44) MAPTLMNAIAPPKDM4ETDP1
SCHEMBL15826781 0.81 MAPT (0.54) MAPTLMNAIAPPKDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed