SCHEMBL7687262

SCHEMBL7687262

O=C1CC(c2ccc(F)cc2)Cc2occ(C(F)(F)F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
MAP1LC3B Q9GZQ8 2/20 0.42
PIM1 P11309 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7686913 0.88 LMNA (0.48) MAP1LC3BPIM1CLK4LMNAALDH1A1
SCHEMBL7690067 0.75 MAP1LC3B (0.38) MAP1LC3BLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL7689655 0.75 MAP1LC3B (0.43) MAP1LC3BLMNA
Hydrochloric Acid SCHEMBL7687416 0.73
SCHEMBL7680946 0.68 HTR2C (0.40) LMNATP53MAPT
SCHEMBL7685368 0.66 LMNA (0.58) MAP1LC3BLMNAALDH1A1KMT2AMAPK1
SCHEMBL7681306 0.65 ALDH1A1 (0.44) MAP1LC3BPOLBLMNAALDH1A1KMT2A
SCHEMBL426339 0.65 MAP1LC3B (0.53) ALPLMAP1LC3BPIM1CLK4CSNK1G1
SCHEMBL7681208 0.64 LMNA (0.49) MAP1LC3BLMNAALDH1A1KMT2ANPSR1
SCHEMBL658679 0.64 MAP1LC3B (0.49) ALPLMAP1LC3BALDH1A1KMT2ATP53

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