SCHEMBL7519009

SCHEMBL7519009

CC(=O)Oc1ccc(Nc2nc(N)ncc2Sc2ccc(Cl)cc2)cc1.Nc1ncc(Sc2ccc(Cl)cc2)c(Nc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HSP90AA1 P07900 1/20 0.48
BCL6 P41182 2/20 0.46
MAPK8 P45983 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 2/20 0.37
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
PLK4 O00444 1/20 0.36

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
SCHEMBL7514733 0.97 RXFP1 (0.52) RXFP1MAPTALDH1A1GAAHSP90AA1
SCHEMBL7516551 0.85 BCL6 (0.61) RXFP1ALDH1A1BCL6NR1I2AHR
SCHEMBL5203892 0.79 SCN9A (0.46) MAPTALDH1A1GAAHSP90AA1BCL6
Hydrochloric Acid SCHEMBL7514046 0.79 RXFP1 (0.53) RXFP1MAPTALDH1A1GAABCL6
SCHEMBL7519748 0.76 RXFP1 (0.54) RXFP1MAPTALDH1A1MEN1RAB9A
SCHEMBL7515653 0.72 RXFP1 (0.62) RXFP1MAPTALDH1A1BCL6MEN1
SCHEMBL7519775 0.71 RXFP1 (0.62) RXFP1MAPTALDH1A1GAABCL6
SCHEMBL7513830 0.71 RXFP1 (0.49) RXFP1MAPTALDH1A1MAPK8KDM4E
SCHEMBL7513791 0.71 ABCG2 (0.46) RXFP1MAPTMEN1KMT2AHSD17B10
SCHEMBL7519746 0.70 RXFP1 (0.54) RXFP1MAPTALDH1A1MEN1KMT2A

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