SCHEMBL7680967

SCHEMBL7680967

Cc1ccnc2c1C(=O)CC(c1nccs1)C2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL7680990 0.84 HSP90AA1 (0.35) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL27573826 0.83
SCHEMBL7687351 0.81
SCHEMBL7683115 0.81
SCHEMBL7690438 0.80 ADORA2A (0.50)
SCHEMBL7683587 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL7688003 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1
SCHEMBL7683162 0.75 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL7685123 0.74 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL7683315 0.74 ALPL (0.60) HSP90AA1HSP90AB1

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