SCHEMBL12304523

SCHEMBL12304523

C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4c(cc3Br)CCO4)nc3c(N)nccc32)CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.79
HSP90AB1 P08238 18/20 0.79

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
SCHEMBL12304531 1.00 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL12304643 0.96 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL12304641 0.96 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL12304526 0.93 HSP90AA1 (0.78) HSP90AA1HSP90AB1
SCHEMBL12304533 0.93 HSP90AA1 (0.78) HSP90AA1HSP90AB1
SCHEMBL12304544 0.92 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL12304551 0.92 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL12304560 0.92 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL15980536 0.92 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL15980534 0.92 HSP90AA1 (0.67) 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