SCHEMBL7689340

SCHEMBL7689340

Cc1coc2c1C(=O)CC(c1ccc(Br)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
BRD4 O60885 1/20 0.40
MAP1LC3B Q9GZQ8 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALPL P05186 1/20 0.36
KDM1A O60341 5/20 0.34
KCNH2 Q12809 2/20 0.34
MAOB P27338 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
KDM1B Q8NB78 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7683472 0.88 MAP1LC3B (0.47) LMNAMAP1LC3BALDH1A1HPGDALPL
SCHEMBL7682795 0.86 ALPL (0.51) LMNAMAP1LC3BALDH1A1HPGDALPL
SCHEMBL7685368 0.85 LMNA (0.58) LMNAMAP1LC3BALDH1A1HPGDHSP90AA1
SCHEMBL7683124 0.84 MAP1LC3B (0.43) LMNAMAP1LC3BALDH1A1HPGDKDM1A
SCHEMBL7681306 0.83 ALDH1A1 (0.44) LMNAMAP1LC3BALDH1A1HPGDMAOB
SCHEMBL7683611 0.78 MAP1LC3B (0.49) LMNABRD4MAP1LC3BALDH1A1HPGD
SCHEMBL7681124 0.75 MAP1LC3B (0.42) LMNAMAP1LC3BALDH1A1HPGDHSD17B10
SCHEMBL7687762 0.74 POLB (0.50) LMNAMAP1LC3BALDH1A1HPGDMAPK1
SCHEMBL7678724 0.73 LMNA (0.34) LMNAALDH1A1HPGDMAPK1HSD17B10
SCHEMBL7689326 0.73 GRM7 (0.42) LMNAALDH1A1HPGDMAOBHSD17B10

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