SCHEMBL7515653

SCHEMBL7515653

Nc1ncc(Sc2ccc(Cl)cc2)c(NO)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.62
DHFR P00374 1/20 0.45
EGFR P00533 1/20 0.42
TYMS P04818 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
BCL6 P41182 1/20 0.40
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL7521450 0.82 RXFP1 (0.56) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7516551 0.82 BCL6 (0.61) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7519775 0.82 RXFP1 (0.62) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7516524 0.81 RXFP1 (0.54) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7510622 0.81 RXFP1 (0.54) RXFP1DHFREGFRTYMSALDH1A1
Hydrochloric Acid SCHEMBL7514046 0.80 RXFP1 (0.53) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL9145080 0.80 RXFP1 (0.71) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7512187 0.79 RXFP1 (0.52) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7512196 0.79 RXFP1 (0.55) RXFP1DHFREGFRTYMSALDH1A1
SCHEMBL7523775 0.79 RXFP1 (0.55) RXFP1DHFREGFRTYMSALDH1A1

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 4 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
EP-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO disclosed