SCHEMBL7300927

SCHEMBL7300927

COC(=O)c1c(C(=O)c2nccn2Cc2ccccc2)c(C)n(NC(=O)OC(C)(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 5/20 0.44
HSP90AA1 P07900 4/20 0.44
HSP90AB1 P08238 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRD1 P41143 2/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AR P10275 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL7291292 0.84 AR (0.40) HSP90B1HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL7299707 0.77 TSHR (0.53) HSP90B1HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL17381155 0.75 RAB9A (0.57) HSP90B1HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL7299362 0.74 HPGD (0.48) SMN1; SMN2KMT2AMEN1L3MBTL1LMNA
SCHEMBL696380 0.71 OPRD1 (0.52) HSP90B1HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL7298713 0.69 MAPT (0.53) HSP90AA1SMN1; SMN2KMT2AMEN1AR
SCHEMBL8503637 0.68 RAB9A (0.55) HSP90B1HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL1593910 0.68 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL10178199 0.68 HSP90AA1 (0.51) HSP90B1HSP90AA1HSP90AB1OPRD1OPRK1
SCHEMBL13379459 0.68 RAB9A (0.54) RAB9ANPC1SMN1; SMN2OPRD1OPRK1

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-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP disclosed