SCHEMBL9425691

SCHEMBL9425691

COc1cc(-n2cnc(-c3ccc(N(C)C)cc3)c2-c2ccccc2)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.46
SRC P12931 1/20 0.44
PDE10A Q9Y233 1/20 0.42
SMPD3 Q9NY59 4/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 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
SCHEMBL15665386 0.81 TUBB4A (0.54) PDGFRBPDGFRATUBB4ATUBBTUBA3C
SCHEMBL29290491 0.80 FAAH (0.53) FAAHNOX1TSHR
SCHEMBL27840184 0.80 FAAH (0.52) FAAHMAPTKDM4E
SCHEMBL27820755 0.79 PTGS1 (0.46) FAAHSRCPDE10APDGFRBPDGFRA
SCHEMBL27934307 0.78 FAAH (0.46) FAAHSRCGABRA1GABRG2GABRB3
SCHEMBL15664486 0.78 TUBB4A (0.47) PDGFRBPDGFRATUBB4ATUBBTUBA3C
SCHEMBL8032021 0.75 PDE10A (0.47) FAAHSRCPDE10ASMPD3PDGFRB
SCHEMBL14445889 0.74 TUBB4A (0.43) SMPD3NOX1PDGFRBPDGFRAMAPT
SCHEMBL27546095 0.71 FAAH (0.47) FAAHPDE10ATSHRGAA
SCHEMBL15664648 0.71 TUBB4A (0.53) PDGFRBPDGFRATUBB4ATUBBTUBA3C

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
US-5292669-A Chromogenic agent, oxidizer BOEHRINGER MANNHEIM GMBH (DE) 1994-03-08 US disclosed