SCHEMBL7683315

SCHEMBL7683315

Cc1ccnc2c1C(=O)CC(c1ccc(F)cc1)C2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.60
MAP1LC3B Q9GZQ8 1/20 0.49
POLB P06746 3/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL7689245 0.86 HSP90AA1 (0.46) ALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL6804541 0.83 ALPL (0.41) ALPL
SCHEMBL6795178 0.82 ALPL (0.41) ALPL
SCHEMBL7683160 0.82 ALPL (0.41) ALPL
SCHEMBL6802858 0.80
SCHEMBL7689308 0.80 ALPL (0.39) ALPL
SCHEMBL7683587 0.78 HSP90AA1 (0.40) ALPLPOLBHSP90AA1HSP90AB1ALDH1A1
SCHEMBL7680811 0.78
Hydrochloric Acid SCHEMBL7686926 0.77 LMNA (0.41) LMNANPSR1
SCHEMBL7687647 0.76

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