SCHEMBL7683124

SCHEMBL7683124

Cc1coc2c1C(=O)CC(c1cccc(Br)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.43
LMNA P02545 1/20 0.42
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SIRT2 Q8IXJ6 2/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7689340 0.84 LMNA (0.43) MAP1LC3BLMNAKDM1AALDH1A1HPGD
SCHEMBL7685368 0.84 LMNA (0.58) MAP1LC3BLMNAALDH1A1HPGDTSHR
SCHEMBL7683472 0.78 MAP1LC3B (0.47) MAP1LC3BLMNAALDH1A1HPGDTSHR
SCHEMBL7683611 0.76 MAP1LC3B (0.49) MAP1LC3BLMNAKDM1AALDH1A1HPGD
SCHEMBL7682795 0.76 ALPL (0.51) MAP1LC3BLMNAKDM1AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7685595 0.75 KDM1A (0.34) MAP1LC3BKDM1ATSHR
SCHEMBL7689174 0.75 LDHA (0.40) MAP1LC3BLMNAALDH1A1
SCHEMBL7681124 0.74 MAP1LC3B (0.42) MAP1LC3BLMNAALDH1A1HPGDKDM4E
SCHEMBL7687762 0.73 POLB (0.50) MAP1LC3BLMNAALDH1A1HPGDPOLB
SCHEMBL7689326 0.72 GRM7 (0.42) LMNAALDH1A1HPGDKDM4ENPC1

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