SCHEMBL8084885

SCHEMBL8084885

O=C1NC(=O)c2c1cc1ccc3c(c1c2-c1ccc(F)cc1)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
CDK2 P24941 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX5 P09917 3/20 0.37
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
AURKA O14965 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
MGLL Q99685 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NR3C2 P08235 1/20 0.33
DYRK3 O43781 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL8085040 0.88 CDK2 (0.39) PTGS2CDK2MEN1KMT2AALOX5
SCHEMBL8082093 0.88 CDK2 (0.39) PTGS2CDK2ALOX5AURKACDK1
SCHEMBL2959109 0.88 ALOX5 (0.48) PTGS2CDK2MEN1KMT2AALOX5
SCHEMBL8085105 0.88 TDP2 (0.39) PTGS2CDK2MEN1KMT2AALOX5
SCHEMBL8086819 0.86 CDK2 (0.39) CDK2ALOX5CHEK1WEE1AURKA
SCHEMBL8080517 0.85 APP (0.41) CDK2MEN1KMT2AALOX5CHEK1
SCHEMBL8084927 0.82 ALOX5 (0.56) PTGS2CDK2MEN1KMT2AALOX5
SCHEMBL2960392 0.81 TOP2A (0.48) CDK2MEN1KMT2AALOX5CDK4
SCHEMBL8080392 0.81 ALDH1A1 (0.41) CDK2MEN1KMT2AALOX5CHEK1
SCHEMBL8085136 0.81 CHEK1 (0.35) CDK2MEN1KMT2ACHEK1WEE1

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
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed