SCHEMBL5377115

SCHEMBL5377115

CCCC(O)Cn1cnc2cccc(C(C)=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
APAF1 O14727 1/20 0.38
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 1/20 0.36
FDPS P14324 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL14283223 0.77 SMN1; SMN2 (0.40) MAPTLMNACYP3A4CYP2D6CYP2C9
SCHEMBL306478 0.76 PTGS2 (0.46) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL309078 0.76 DPP4 (0.41) MAPTLMNAAPAF1THRBPOLB
SCHEMBL12894983 0.70 DHODH (0.43) AGERMEN1KMT2ACYP3A4CYP2D6
SCHEMBL13387199 0.68 LMNA (0.42) AGERMAPTLMNAMEN1KMT2A
SCHEMBL12894985 0.67 NR4A2 (0.46) LMNAMEN1KMT2AMAPK1TSHR
SCHEMBL2690995 0.66 TRPV1 (0.69) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL16333135 0.65 PIK3CD (0.37) MAPTLMNAMEN1KMT2ATP53
SCHEMBL4973246 0.65 SMN1; SMN2 (0.66) MAPTLMNAMEN1KMT2ATP53
SCHEMBL4973402 0.65 TP53 (0.50) MAPTLMNAMEN1KMT2ATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO disclosed