SCHEMBL7519308

SCHEMBL7519308

Nc1ncc(Sc2ccc(Cl)cc2)c(N[C@@H]2CCCC[C@@H]2O)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
SYK P43405 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK8 P45983 1/20 0.36
DHFR P00374 1/20 0.36
CNR1 P21554 7/20 0.36
IDH1 O75874 1/20 0.36
LATS1 O95835 2/20 0.36
LATS2 Q9NRM7 1/20 0.36
IRAK1 P51617 1/20 0.35
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
ILK Q13418 1/20 0.35

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
SCHEMBL7515161 1.00 RXFP1 (0.49) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7515160 1.00 RXFP1 (0.49) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7514879 0.98 RXFP1 (0.49) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7514882 0.98 RXFP1 (0.49) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7515124 0.98 RXFP1 (0.49) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7522426 0.93 RXFP1 (0.43) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7522432 0.93 RXFP1 (0.43) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7573745 0.89 RXFP1 (0.42) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7513918 0.89 RXFP1 (0.42) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7513915 0.89 RXFP1 (0.42) RXFP1SYKKDM4EMEN1NPC1

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