SCHEMBL7518880

SCHEMBL7518880

CC(=O)NN(c1ccccc1)c1nc(N)ncc1Sc1ccc(Cl)cc1.Nc1ncc(Sc2ccc(Cl)cc2)c(N(CO)CCO)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 5/20 0.39
SLC6A9 P48067 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL7519746 0.90 RXFP1 (0.54) RXFP1MAPTSLC6A9SMN1; SMN2CYP3A4
SCHEMBL7510630 0.85 RXFP1 (0.53) RXFP1SLC6A9SMN1; SMN2CYP3A4CYP2D6
SCHEMBL7513152 0.77 RXFP1 (0.51) RXFP1MAPTSLC6A9SMN1; SMN2CYP3A4
SCHEMBL7519304 0.71 RXFP1 (0.42) RXFP1CYP2D6CYP2C19
SCHEMBL7516527 0.67 RXFP1 (0.52) RXFP1SLC6A9SMN1; SMN2CYP3A4CYP2D6
SCHEMBL7510615 0.66 RXFP1 (0.59) RXFP1MAPTSLC6A9CYP3A4CYP2D6
SCHEMBL7519748 0.64 RXFP1 (0.54) RXFP1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL7521450 0.64 RXFP1 (0.56) RXFP1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL7519009 0.63 RXFP1 (0.49) RXFP1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL7510610 0.61 RXFP1 (0.59) RXFP1MAPTSMN1; SMN2CYP3A4CYP2D6

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