SCHEMBL4741350

SCHEMBL4741350

Cc1ccc2c(c1)ncn2C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.48
GAA P10253 3/20 0.45
HSD17B10 Q99714 1/20 0.45
FGFR1 P11362 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
LRRK2 Q5S007 2/20 0.41
HPGD P15428 6/20 0.41
NPC1 O15118 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 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
SCHEMBL15833610 0.90 HCAR1 (0.50) HCAR1GAAHSD17B10MAPK1LRRK2
SCHEMBL17678349 0.89 GAA (0.50) GAAHSD17B10FGFR1ALDH1A1TP53
SCHEMBL18250716 0.86 GAA (0.55) HCAR1GAAHSD17B10FGFR1ALDH1A1
SCHEMBL18250724 0.86 GAA (0.58) HCAR1GAAHSD17B10FGFR1ALDH1A1
SCHEMBL18250725 0.84 GAA (0.61) HCAR1GAAHSD17B10FGFR1ALDH1A1
SCHEMBL15344915 0.82 DRD2 (0.50) GAAHSD17B10FGFR1ALDH1A1TP53
SCHEMBL15205857 0.82 HCAR1 (0.48) HCAR1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL17675678 0.78 JAK2 (0.45) HCAR1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL4743122 0.78 DRD2 (0.44) HCAR1GAAHSD17B10FGFR1ALDH1A1
SCHEMBL31208320 0.77 GAA (0.76) HCAR1GAAHSD17B10FGFR1ALDH1A1

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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed