SCHEMBL3360696

SCHEMBL3360696

Cc1[nH]c(Cc2cccc(Cl)c2)nc1-c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.43
PDE9A O76083 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
ALKBH3 Q96Q83 1/20 0.40
IDO1 P14902 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAOB P27338 1/20 0.39
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MPO P05164 1/20 0.38
HCRTR1 O43613 1/20 0.37

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
SCHEMBL27915186 0.91 PRNP (0.39) PRNPMAPT
SCHEMBL3360324 0.87 MAPT (0.51) KMT2AMEN1PRNPMAPT
SCHEMBL3363077 0.86 KMT2A (0.48) KMT2AMEN1MAPT
SCHEMBL27933696 0.86 ADORA2A (0.44) ALKBH3PRNPMAPTPTGESALOX5
SCHEMBL27933833 0.84 MAPT (0.38) PRNPMAPT
SCHEMBL27915185 0.84 HTT (0.42) MAPT
SCHEMBL31305394 0.83 CXCR2 (0.44) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL2865706 0.83 CXCR2 (0.44) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL2867223 0.83 CCR2 (0.46) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL27915193 0.82 KMT2A (0.43) KMT2AMEN1MAPT

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
WO-2010024421-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed