SCHEMBL7518173

SCHEMBL7518173

Nc1ncc(Sc2ccc(Cl)cc2)c(NCC2(O)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
DHFR P00374 1/20 0.38
EGFR P00533 1/20 0.36
TYMS P04818 1/20 0.36
PTPN11 Q06124 2/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
BCL6 P41182 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX5AP P20292 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 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
SCHEMBL7514495 0.95 RXFP1 (0.49) RXFP1DHFREGFRTYMSPTPN11
SCHEMBL7521450 0.81 RXFP1 (0.56) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7510622 0.80 RXFP1 (0.54) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7515653 0.79 RXFP1 (0.62) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7507963 0.77 RXFP1 (0.51) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL5206576 0.77 SCN9A (0.38) ALDH1A1CYP2C9CYP2C19KDM4EHPGD
SCHEMBL7512211 0.77 RXFP1 (0.51) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7515045 0.76 RXFP1 (0.51) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7514424 0.76 RXFP1 (0.51) RXFP1DHFREGFRTYMSAPP
SCHEMBL7514421 0.76 RXFP1 (0.51) RXFP1DHFREGFRTYMSAPP

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-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO claimed