SCHEMBL6827432

SCHEMBL6827432

N#Cc1ccc(-c2cc(C3CCCCC3)oc(=O)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
P2RX7 Q99572 1/20 0.36
HSD11B1 P28845 4/20 0.36
KDM1A O60341 2/20 0.36
SCD5 Q86SK9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSD11B2 P80365 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6824842 0.94 GRM5 (0.34) GRM5P2RX7HSD11B1KDM1ASCD5
SCHEMBL6829543 0.82 PGR (0.43) PTGDR2KCNH2HTR2AHTR2CHTR2B
SCHEMBL6823828 0.77 PGR (0.46)
SCHEMBL6824341 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HTT
SCHEMBL11947631 0.70 USP30 (0.47) HSD11B1PTGDR2HSD11B2CYP19A1
SCHEMBL18696087 0.69 CYP1B1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL6827239 0.68 CYP1B1 (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL6827385 0.66 MTOR (0.35) KDM4EALDH1A1KCNH2
SCHEMBL9021665 0.66 KDM4E (0.61) GRM5KDM1AKDM4EALDH1A1HPGD
SCHEMBL6924757 0.65 P4HTM (0.34) GRM5

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed