SCHEMBL874169

SCHEMBL874169

C/C(=N\OCC(C)Cc1cccc(CC=O)n1)c1cccc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HKDC1 Q2TB90 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
SCHEMBL882997 0.86 P2RX7 (0.37) HSP90AA1P2RX7NPC1RAB9AMEN1
SCHEMBL10272873 0.84 HSP90AA1 (0.36) HSP90AA1P2RX7NPC1RAB9AMEN1
SCHEMBL882996 0.84 HSP90AA1 (0.35) HSP90AA1P2RX7NPC1RAB9AMEN1
SCHEMBL16164228 0.84 HSP90AA1 (0.35) HSP90AA1P2RX7NPC1RAB9AMEN1
SCHEMBL874610 0.81 HSP90AA1 (0.35) HSP90AA1P2RX7MEN1KMT2AHKDC1
SCHEMBL13545605 0.81 HSP90AA1 (0.43) HSP90AA1P2RX7NPC1RAB9AHKDC1
SCHEMBL12467180 0.77 HSP90AA1 (0.34) HSP90AA1P2RX7MEN1KMT2AHKDC1
SCHEMBL874223 0.77 HSP90AA1 (0.33) HSP90AA1P2RX7HKDC1
SCHEMBL874106 0.75 P2RX7 (0.41) HSP90AA1P2RX7NPC1RAB9AMEN1
SCHEMBL10273706 0.73 HSP90AA1 (0.35) HSP90AA1P2RX7MEN1KMT2AHKDC1

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
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed