SCHEMBL4690679

SCHEMBL4690679

Cc1oc2c(CC=O)cccc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
GLA P06280 1/20 0.33
STING1 Q86WV6 1/20 0.33
XPO1 O14980 1/20 0.33
SLC11A2 P49281 1/20 0.33
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
MAP4K4 O95819 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PIM1 P11309 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL4690166 0.76 GABRA1 (0.37) GABRA1GABRB2GLASTING1SLC11A2
SCHEMBL4619300 0.71 GABRA1 (0.45) GABRA1GABRB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7829502 0.69 ALDH1A1 (0.39) GABRA1GABRB2KDM4EALDH1A1HSD17B10
SCHEMBL4694392 0.69 GABRA1 (0.40) GABRA1GABRB2
SCHEMBL4690070 0.68 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL28259937 0.68 CYSLTR1 (0.43) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3967537 0.68 GAA (0.41) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1701340 0.67 GABRA1 (0.40) GABRA1GABRB2ALDH1A1HSD17B10MEN1
SCHEMBL1759301 0.67 PARP1 (0.40) GABRA1GABRB2PIM1KDM4EALDH1A1
SCHEMBL28879956 0.66 GABRA1 (0.43) GABRA1GABRB2ALDH1A1HSD17B10HTT

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-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed