SCHEMBL7685368

SCHEMBL7685368

Cc1coc2c1C(=O)CC(c1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TSHR P16473 3/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAP1LC3B Q9GZQ8 2/20 0.44
KMT2A Q03164 5/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39

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) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL7689340 0.85 LMNA (0.43) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL7682795 0.85 ALPL (0.51) LMNAALDH1A1HPGDTSHRMAP1LC3B
SCHEMBL7683124 0.84 MAP1LC3B (0.43) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL7681124 0.84 MAP1LC3B (0.42) LMNAALDH1A1HPGDHSD17B10MAP1LC3B
SCHEMBL7681306 0.83 ALDH1A1 (0.44) LMNAALDH1A1HPGDHSD17B10MAP1LC3B
SCHEMBL7683976 0.80 MAP1LC3B (0.41) LMNAALDH1A1HPGDTSHRALOX15
SCHEMBL7689638 0.80 TP53 (0.48) LMNAALDH1A1HPGDTSHRMAP1LC3B
SCHEMBL7683611 0.80 MAP1LC3B (0.49) LMNAALDH1A1HPGDMAP1LC3BSMN1; SMN2
SCHEMBL7687762 0.79 POLB (0.50) LMNAALDH1A1HPGDTSHRALOX15

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