SCHEMBL4471406

SCHEMBL4471406

CCOC(=O)c1ccc2c(c1)nc(Cl)n2-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.71
SIRT1 Q96EB6 2/20 0.71
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.55
HPGD P15428 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PDE2A O00408 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GLA P06280 1/20 0.52
LMNA P02545 1/20 0.52
ATM Q13315 1/20 0.52
MAT2A P31153 1/20 0.52
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2030743 0.86 SIRT2 (0.71) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL4482921 0.84 SIRT2 (0.68) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL1356532 0.82 ALOX15 (0.50) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL4485382 0.78 PTGER4 (0.58) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL12374638 0.78 KDM4E (0.52) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL30343744 0.76 FGFR1 (0.75) SIRT2SIRT1ALDH1A1HPGDNPC1
SCHEMBL541343 0.75 HSD17B10 (0.76) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL17456641 0.75 KDM4E (0.59) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL2162546 0.74 MEN1 (0.61) SIRT2SIRT1ALDH1A1MAPTKDM4E
SCHEMBL21760759 0.74 SIRT2 (0.74) SIRT2SIRT1ALDH1A1MAPTHPGD

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-2009116074-A2 SUBSTITUTED BENZIMIDAZOLES AS CANNABINOID MODULATOR CADILA HEALTHCARE LIMITED (IN) 2009-09-24 WO disclosed