SCHEMBL7994645

SCHEMBL7994645

CCCc1nccn1Cc1cccc(OCCCSc2ccc3ncc([N+](=O)[O-])n3n2)c1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.34
HSP90B1 P14625 2/20 0.34
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL7984159 0.90 EGFR (0.31)
SCHEMBL7996545 0.88 CYP2D6 (0.36)
SCHEMBL7998616 0.82 SMN1; SMN2 (0.39) MAPTHTTRAB9A
SCHEMBL7994819 0.80
SCHEMBL7995706 0.78 HSP90AA1 (0.41) HSP90AA1HSP90B1RAB9A
SCHEMBL7994815 0.78 TDP1 (0.31)
SCHEMBL7994293 0.76 NPC1 (0.42) HSP90AA1HSP90B1MAPTHTTRAB9A
SCHEMBL8081077 0.75 CYP1A2 (0.33)
SCHEMBL8001628 0.74 GRM2 (0.41) HTTRAB9A
SCHEMBL7984007 0.73 HSP90AA1 (0.38) HSP90AA1HSP90B1

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed