SCHEMBL7686928

SCHEMBL7686928

Cn1ccc2c1CC(c1ccccc1)CC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.50
HPGD P15428 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
BRD4 O60885 3/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
Hydrochloric Acid SCHEMBL27527573 0.81 BRD4 (0.37) MAP1LC3BHPGDMEN1KMT2ABRD4
SCHEMBL7685208 0.81 MAP1LC3B (0.44) MAP1LC3BHPGDMEN1KMT2ABRD4
SCHEMBL7685271 0.79 MAP1LC3B (0.46) MAP1LC3BHPGDMEN1KMT2ABRD4
SCHEMBL7690090 0.78 ALDH1A1 (0.49) MAP1LC3BHPGDMEN1KMT2AGAA
SCHEMBL7689177 0.76 CSNK2A2 (0.54) MAP1LC3BHPGDMEN1KMT2AGAA
SCHEMBL7689499 0.74 LMNA (0.47) MAP1LC3BHPGDMEN1KMT2ABRD4
SCHEMBL7683230 0.73 CA1 (0.50) MAP1LC3BHPGDGAAALDH1A1CA1
Hydrochloric Acid SCHEMBL7689771 0.70 MEN1 (0.33) HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL7689769 0.70 MEN1 (0.33) HPGDMEN1KMT2A
SCHEMBL14959525 0.70 BRD4 (0.67) MAP1LC3BHPGDMEN1KMT2ABRD4

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