SCHEMBL7679042

SCHEMBL7679042

Cc1ccc(Cl)c(C2CC(=O)c3c(C)cnnc3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
PBRM1 Q86U86 1/20 0.34
GRM7 Q14831 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL7683110 0.90 MAP1LC3B (0.42) TSHRHPGDMAP1LC3BALOX15TP53
SCHEMBL7689231 0.85 HPGD (0.47) MAPK1TSHRHPGDMAP1LC3BALDH1A1
SCHEMBL7687703 0.81
SCHEMBL7689525 0.80 ALPL (0.34) MAPK1MAP1LC3BALDH1A1TP53ALPL
SCHEMBL7690059 0.78 HSP90AA1 (0.30) HSP90AA1HSP90AB1ALPL
SCHEMBL7681338 0.77 ALPL (0.41) ALPL
Hydrochloric Acid SCHEMBL7682808 0.75
Hydrochloric Acid SCHEMBL7682803 0.75
SCHEMBL7685259 0.72 MAP1LC3B (0.43) MAP1LC3B
SCHEMBL7687441 0.71 HPGD (0.46) MAPK1TSHRHPGDMAP1LC3BALDH1A1

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