SCHEMBL28016243

SCHEMBL28016243

NCc1cccc(C(=O)n2nc(-c3cccnc3)cc2NCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
THRB P10828 2/20 0.56
F2 P00734 7/20 0.54
GAA P10253 1/20 0.50
KLKB1 P03952 3/20 0.49
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KLK1 P06870 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
USP2 O75604 1/20 0.44
F10 P00742 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL28016154 0.93 F2 (0.57) MAPTTHRBF2GAAKLKB1
SCHEMBL28016807 0.92 F2 (0.53) MAPTTHRBF2GAAKLKB1
SCHEMBL2564484 0.91 F2 (0.60) MAPTTHRBF2GAAKLKB1
SCHEMBL2561284 0.90 GAA (0.61) MAPTTHRBF2GAAKLKB1
SCHEMBL14687550 0.88 MAPT (0.72) MAPTTHRBF2GAAKLKB1
SCHEMBL14688731 0.88 MAPT (0.72) MAPTTHRBF2GAAKLKB1
SCHEMBL14688970 0.88 F2 (0.61) MAPTTHRBF2GAAKLKB1
SCHEMBL2554308 0.88 GAA (0.61) MAPTTHRBF2GAAKLKB1
SCHEMBL2567902 0.88 F2 (0.57) MAPTTHRBF2GAAKLKB1
SCHEMBL2564273 0.87 F2 (0.58) MAPTTHRBF2GAAKLKB1

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
CN-102918034-B Polysubstituted aromatic compounds as inhibitors of thrombin VERSEON CORP 2015-06-03 CN claimed