SCHEMBL15225388

SCHEMBL15225388

Oc1cc(O)c(-c2n[nH]c3c2CN(Cc2ccc(N4CCNCC4)cc2)CC3)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.51
HSP90AB1 P08238 11/20 0.51
BRS3 P32247 1/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 1/20 0.37
HTR7 P34969 1/20 0.36
CETP P11597 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
SCHEMBL15225405 0.91 HSP90AA1 (0.41) HSP90AA1HSP90AB1BRS3
SCHEMBL2470280 0.91 HSP90AA1 (0.48) HSP90AA1HSP90AB1BRS3
SCHEMBL15225651 0.90 HSP90AA1 (0.50) HSP90AA1HSP90AB1BRS3
SCHEMBL15225431 0.89 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL15225429 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL15225663 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL15225345 0.87 HSP90AA1 (0.47) HSP90AA1HSP90AB1BRS3
SCHEMBL15225529 0.86 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL15225168 0.86 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL15225372 0.85 HSP90AA1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370437-B1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-04 EP disclosed