SCHEMBL4313679

SCHEMBL4313679

C/C(=N\O)c1cccc(-c2cccs2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CCKAR P32238 1/20 0.55
HTR5A P47898 1/20 0.55
PRMT6 Q96LA8 1/20 0.45
KAT6A Q92794 2/20 0.44
KCNH2 Q12809 1/20 0.41
FYN P06241 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GRK5 P34947 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
ERN1 O75460 1/20 0.39

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
SCHEMBL4316717 0.85 LTA4H (0.46) HTR1AADORA3CCKARHTR5AKCNH2
SCHEMBL4052204 0.80 FYN (0.57) HTR1AADORA3CCKARHTR5APRMT6
SCHEMBL8578010 0.80 HTR1A (0.48) HTR1AADORA3CCKARHTR5APRMT6
SCHEMBL27623947 0.76 KAT6A (0.55) HTR1AADORA3CCKARHTR5APRMT6
SCHEMBL4327798 0.75 KMO (0.52) CYP2D6CYP2C19
SCHEMBL8310029 0.75 KMO (0.52) CYP2D6CYP2C19
SCHEMBL940399 0.75 KAT6A (0.57) HTR1AADORA3CCKARHTR5AKAT6A
SCHEMBL31222146 0.75 KAT6A (0.57) HTR1AADORA3CCKARHTR5AKAT6A
SCHEMBL1334921 0.74 KCNH2 (0.59) PRMT6KAT6AKCNH2CYP3A4CYP2C9
SCHEMBL4559856 0.73 AR (0.52) HTR1AADORA3CCKARHTR5AKAT6A

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-2009138416-A1 OXIME CARBAMOYL DERIVATIVES AS MODULATORS OF FATTY ACID AMIDES HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-11-19 WO disclosed