SCHEMBL12304563

SCHEMBL12304563

Nc1nccc2c1nc(Sc1cc3occc3cc1Br)n2CCC1CCN(C(=O)CO)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.61
HSP90AB1 P08238 17/20 0.61

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
SCHEMBL12304750 0.96 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL12304539 0.92 HSP90AA1 (0.62) HSP90AA1HSP90AB1
SCHEMBL12304569 0.92 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL12304540 0.89 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL12304581 0.89 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL3523385 0.89 HSP90AA1 (0.77) HSP90AA1HSP90AB1
SCHEMBL12304745 0.89 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL12304757 0.87 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL12304530 0.87 HSP90AA1 (0.77) HSP90AA1HSP90AB1
SCHEMBL12304571 0.87 HSP90AA1 (0.77) 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-8017780-B1 Therapeutic compounds and uses thereof MYREXIS, INC. (US) 2011-09-13 US disclosed
US-8017780-B1 Therapeutic compounds and uses thereof MYREXIS, INC. (US) 2011-09-13 US disclosed