SCHEMBL14715549

SCHEMBL14715549

CC1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 5/20 0.39
BCHE P06276 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 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
SCHEMBL2519039 1.00 PTPN2 (0.46) PTPN2PTPN1POLBSMN1; SMN2CHRM2
SCHEMBL6522269 1.00 PTPN2 (0.46) PTPN2PTPN1POLBSMN1; SMN2CHRM2
SCHEMBL2515505 1.00 PTPN2 (0.46) PTPN2PTPN1POLBSMN1; SMN2CHRM2
SCHEMBL2523416 1.00 PTPN2 (0.46) PTPN2PTPN1POLBSMN1; SMN2CHRM2
SCHEMBL12211109 0.84 CHRNA7 (0.38) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL16488549 0.83 POLB (0.43) PTPN2PTPN1POLBSMN1; SMN2CHRM2
SCHEMBL16488553 0.83 POLB (0.43) PTPN2PTPN1POLBSMN1; SMN2CHRM2
SCHEMBL3129177 0.81 POLB (0.42) PTPN2PTPN1POLBSMN1; SMN2CHRM2
SCHEMBL3941559 0.81 PDGFRB (0.42) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL3117718 0.80 POLB (0.41) PTPN2PTPN1POLBSMN1; SMN2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed