SCHEMBL7689744

SCHEMBL7689744

CC(O)=C1C(=O)CC(c2cc(Cl)ccc2Cl)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.48
LDHA P00338 2/20 0.40
ERBB2 P04626 1/20 0.37
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
SLC9A1 P19634 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 4/20 0.35
RECQL P46063 2/20 0.35
LDHB P07195 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7568239 0.81 TP53 (0.56) MAP1LC3BLDHAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7685669 0.74 TP53 (0.62) MAP1LC3BLDHAERBB2PIM1FLT3
SCHEMBL14580256 0.72 MAP1LC3B (0.41) MAP1LC3BERBB2PIM1FLT3MAP4K2
SCHEMBL7562075 0.70 MAP1LC3B (0.45) MAP1LC3BALDH1A1KDM4EMAPT
SCHEMBL7690062 0.70 NPC1 (0.32) LDHAALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL7685259 0.69 MAP1LC3B (0.43) MAP1LC3B
SCHEMBL7689368 0.69 PIM1 (0.45) MAP1LC3BERBB2PIM1FLT3MAP4K2
SCHEMBL30997823 0.68 TP53 (0.46) SLC9A1ALDH1A1TP53HTR1AADRA1B
SCHEMBL9911450 0.68 TP53 (0.46) SLC9A1ALDH1A1TP53HTR1AADRA1B
SCHEMBL21821885 0.68 MEN1 (0.57) MAP1LC3BLDHAALDH1A1SMN1; SMN2LMNA

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