SCHEMBL20836623

SCHEMBL20836623

N=C(N)N[C@@H]1CCCC[C@H]1SNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
EPHX2 P34913 2/20 0.41
CXCR3 P49682 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
P2RX1 P51575 2/20 0.36
PAK3 O75914 1/20 0.36
PAK1 Q13153 1/20 0.36
PAK2 Q13177 1/20 0.36
EPHX1 P07099 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 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
SCHEMBL4300746 0.76 MAPT (0.44) MAPTEPHX2CXCR3CA12CA1
SCHEMBL17977242 0.76 LMNA (0.50) MAPTEPHX2P2RX1
SCHEMBL19805294 0.76 LMNA (0.36) MAPTEPHX2CXCR3P2RX1EPHX1
SCHEMBL3887744 0.73 MAPT (0.43) MAPTP2RX1EPHX1
SCHEMBL21859180 0.70 MAPT (0.57) MAPTEPHX2CXCR3CA12CA1
SCHEMBL5950295 0.70 EPHX2 (0.51) MAPTEPHX2CXCR3CA12CA1
SCHEMBL23854453 0.70 MAPT (0.50) MAPTEPHX2CXCR3CA12CA1
SCHEMBL4302653 0.70 MAPT (0.50) MAPTEPHX2CXCR3CA12CA1
SCHEMBL4302656 0.70 MAPT (0.50) MAPTEPHX2CXCR3CA12CA1
SCHEMBL5598039 0.69 EPHX2 (0.75) MAPTEPHX2CXCR3EPHX1

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-3256444-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed