SCHEMBL7516678

SCHEMBL7516678

CC(=O)N1CCN(c2nc(N)ncc2Sc2ccc(Br)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 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
NPSR1 Q6W5P4 1/20 0.40
PTPN11 Q06124 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
NTRK1 P04629 2/20 0.39
CASP6 P55212 1/20 0.39
GFER P55789 1/20 0.39
NCF1 P14598 1/20 0.38

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
SCHEMBL7508846 0.90 RXFP1 (0.44) RXFP1ALDH1A1PTPN11CKS1BSKP1
SCHEMBL7519963 0.90 CKS1B (0.46) RXFP1ALDH1A1PTPN11CKS1BSKP1
SCHEMBL7516894 0.89 RXFP1 (0.55) RXFP1ALDH1A1NPC1PTPN11CKS1B
SCHEMBL7519270 0.88 ALDH1A1 (0.42) RXFP1ALDH1A1MEN1KMT2APTPN11
SCHEMBL7518286 0.86 EIF2AK4 (0.46) RXFP1ALDH1A1KMT2AAKT1AKT2
SCHEMBL7522989 0.80 CNR2 (0.44) MEN1KMT2APTPN11CKS1BSKP1
SCHEMBL7514338 0.80 RXFP1 (0.45) RXFP1ALDH1A1NCF1AKT1SMO
SCHEMBL7514586 0.78 ITGAL (0.52) NPSR1PTPN11NCF1SMOMAPT
SCHEMBL7514841 0.77 CLK1 (0.42) RXFP1NCF1AKT1SMOMAPT
SCHEMBL7519326 0.76 ALDH1A1 (0.43) RXFP1ALDH1A1MEN1KMT2ANPSR1

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