SCHEMBL7518879

SCHEMBL7518879

CC(=O)Nc1ccccc1Nc1nc(N)ncc1Sc1ccc(Cl)cc1.Nc1ncc(Sc2ccc(Cl)cc2)c(NCC(O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 6/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
BLM P54132 1/20 0.39
NOD2 Q9HC29 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
S100A4 P26447 1/20 0.37
AKR1B1 P15121 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL7519748 0.91 RXFP1 (0.54) RXFP1SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL7510622 0.84 RXFP1 (0.54) RXFP1SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL7512211 0.75 RXFP1 (0.51) RXFP1SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL7521450 0.71 RXFP1 (0.56) RXFP1SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL7516551 0.70 BCL6 (0.61) RXFP1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7514733 0.69 RXFP1 (0.52) RXFP1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL7519009 0.69 RXFP1 (0.49) RXFP1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL7515653 0.69 RXFP1 (0.62) RXFP1SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL7510886 0.68 RXFP1 (0.55) RXFP1SMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL7523775 0.68 RXFP1 (0.55) RXFP1CYP3A4CYP2C9CYP2C19LMNA

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 disclosed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO disclosed