SCHEMBL7456677

SCHEMBL7456677

Nc1ncc(Oc2ccc(Cl)cc2)c(NCC2CC(O)C2)n1.Nc1ncc(Oc2ccc(Cl)cc2)c(NCC2CCC2O)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
TDO2 P48775 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK9 P50750 1/20 0.32
KCNH2 Q12809 2/20 0.32
SCN9A Q15858 2/20 0.32
SCN5A Q14524 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TNK2 Q07912 1/20 0.31
BTK Q06187 1/20 0.31
PRKCQ Q04759 1/20 0.30
MAPT P10636 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPC6 Q9Y210 1/20 0.30
IRAK1 P51617 1/20 0.30

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
SCHEMBL7456680 1.00 EGLN1 (0.33) EGLN1NOS3NOS1TDO2CCNT1
SCHEMBL1378923 0.93 SCN9A (0.36) EGLN1NOS3NOS1TDO2CCNT1
SCHEMBL1378922 0.93 SCN9A (0.36) EGLN1NOS3NOS1TDO2CCNT1
SCHEMBL5203626 0.93 SCN9A (0.36) EGLN1NOS3NOS1TDO2CCNT1
SCHEMBL1376059 0.93 MEN1 (0.32) EGLN1NOS3NOS1TDO2CCNT1
SCHEMBL1376060 0.93 MEN1 (0.32) EGLN1NOS3NOS1TDO2CCNT1
SCHEMBL1376354 0.92 SCN9A (0.36) EGLN1NOS3NOS1CCNT1CCNC
SCHEMBL1377657 0.92 SCN9A (0.36) EGLN1NOS3NOS1CCNT1CCNC
SCHEMBL1376355 0.92 SCN9A (0.36) EGLN1NOS3NOS1CCNT1CCNC
SCHEMBL1375389 0.89 TDO2 (0.36) EGLN1NOS3NOS1TDO2CCNT1

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-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO disclosed