SCHEMBL3457069

SCHEMBL3457069

Nc1cccc(-c2ccccc2Oc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.50
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
NOS1 P29475 3/20 0.41
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
PLG P00747 2/20 0.40
PLAU P00749 2/20 0.40
PLAT P00750 2/20 0.40
BRD4 O60885 1/20 0.40
ELANE P08246 1/20 0.39
DPP4 P27487 1/20 0.39
ADORA2A P29274 1/20 0.39
PTGS2 P35354 1/20 0.39
FYN P06241 2/20 0.39
BCAT2 O15382 1/20 0.39
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL3364095 0.79 HSP90AA1 (0.55) ASIC3NOS1NOS3ADORA2AAPP
SCHEMBL30507528 0.78 HSP90AA1 (0.53) NCOA1NCOA3ADORA2A
SCHEMBL28501185 0.78 HSP90AA1 (0.53) NCOA1NCOA3ADORA2A
SCHEMBL21223169 0.77 NCOA1 (0.47) NCOA1NCOA3BRD4ADORA2APTGS2
Hydrochloric Acid SCHEMBL21223725 0.75 NCOA1 (0.46) NCOA1NCOA3BRD4ELANEADORA2A
SCHEMBL2194879 0.74 GRM5 (0.51) NCOA1NCOA3PTGS2NPC1RAB9A
SCHEMBL2203391 0.73 TSHR (0.58) NCOA1NCOA3BRD4DPP4PTGS2
SCHEMBL3394031 0.73 NCOA1 (0.44) NCOA1NCOA3BRD4ADORA2APTGS2
SCHEMBL3457107 0.72 NCOA1 (0.54) NCOA1NCOA3BRD4ADORA2AFYN
SCHEMBL4282002 0.72 HSP90AA1 (0.69) NCOA1NCOA3

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-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed
EP-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed