SCHEMBL6924757

SCHEMBL6924757

N#Cc1cn(-c2cc(C3CCCCC3)oc(=O)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.34
CYP1B1 Q16678 1/20 0.33
SIGMAR1 Q99720 6/20 0.32
STS P08842 4/20 0.32
GRM5 P41594 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL6922673 0.82 NR2E1 (0.36) CYP1B1
SCHEMBL6823986 0.81 PDE3B (0.34) CYP1B1GRM5MKNK2
SCHEMBL6827332 0.79 NPC1 (0.44) CYP1B1
SCHEMBL6920247 0.76 MKNK1 (0.31) P4HTMMKNK1MKNK2
SCHEMBL6827915 0.74 CYP11B1 (0.41)
SCHEMBL6922731 0.74 NOTUM (0.49) GRM5
SCHEMBL7154816 0.69 SYK (0.35) GRM5
SCHEMBL6827232 0.68 HTT (0.44) MKNK1MKNK2
SCHEMBL6924372 0.67 LMNA (0.41) CYP1B1
SCHEMBL6917984 0.67 NOTUM (0.39) CYP1B1

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