SCHEMBL4196645

SCHEMBL4196645

O=c1[nH]c2c(F)cccc2cc1F

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.71
DDO Q99489 3/20 0.71
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
HRH4 Q9H3N8 5/20 0.44
FEN1 P39748 1/20 0.39
PARP1 P09874 1/20 0.39
CDC25B P30305 1/20 0.38
AR P10275 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL3362300 0.83 DAO (1.00) DAODDOCA12CA9HRH4
SCHEMBL12970395 0.83 DAO (0.65) DAODDOCA12CA9HRH4
SCHEMBL31378708 0.83 DAO (0.65) DAODDOCA12CA9HRH4
SCHEMBL3316092 0.83 DAO (0.65) DAODDOCA12CA9HRH4
SCHEMBL4069728 0.80 DAO (0.61) DAODDOCA12CA9HRH4
SCHEMBL1367535 0.80 DAO (0.66) DAODDOCA12CA9HRH4
SCHEMBL1534147 0.79 DAO (0.47) DAODDOHRH4
SCHEMBL27348185 0.79 DAO (0.64) DAODDOCA12CA9HRH4
SCHEMBL31378799 0.78 DAO (0.58) DAODDOCA12CA9HRH4
SCHEMBL9432615 0.77 DAO (0.56) DAODDOCA12CA9HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088345-A1 NECESSARY AND SUFFICIENT REAGENT SETS FOR CHEMOGENOMIC ANALYSIS ENTELOS, INC. 2009-04-02 US disclosed
US-20070021918-A1 Universal gene chip for high throughput chemogenomic analysis U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES 2007-01-25 US disclosed
US-20060035250-A1 Necessary and sufficient reagent sets for chemogenomic analysis U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-02-16 US disclosed
WO-2006001896-A2 A UNIVERSAL GENE CHIP FOR HIGH THROUGHPUT CHEMOGENOMIC ANALYSIS ICONIX PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
WO-2005124650-A2 SUFFICIENT AND NECESSARY REAGENT SETS FOR CHEMOGENOMIC ANALYSIS ICONIX PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed