SCHEMBL5209307

SCHEMBL5209307

Nc1ncc(Cc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.36
DHFR P00374 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PNP P00491 3/20 0.35
SLC9A1 P19634 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PLA2G7 Q13093 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
SCHEMBL5207077 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1HTTL3MBTL1
SCHEMBL5206921 0.78 PLA2G7 (0.49) TYMSPNPPLA2G7
SCHEMBL13039021 0.72 NOS1 (0.42) TYMSDHFRKDM4EGRIN2DGRIN3B
SCHEMBL11543373 0.72
SCHEMBL11542383 0.71 AOC3 (0.60) PNPPLA2G7
SCHEMBL5202758 0.71 LTA4H (0.36) TYMSSLC9A1KDM4EGRIN2DGRIN3B
SCHEMBL7716580 0.71 DAO (0.50) TYMSPLA2G7
SCHEMBL31685244 0.71 TYMS (0.43) TYMSPNPKDM4EALDH1A1HSD17B10
SCHEMBL7714354 0.70 PNP (0.51) DHFRPNPPLA2G7
SCHEMBL6049622 0.69 TYMS (0.44) TYMSKDM4EALDH1A1GAA

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
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed
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