SCHEMBL19976851

SCHEMBL19976851

COC[C@H](C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1[nH]nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPK1 P28482 2/20 0.34
CACNA1H O95180 1/20 0.34
NAMPT P43490 2/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
CTNNB1 P35222 2/20 0.33
TCF7L2 Q9NQB0 2/20 0.33
PDE2A O00408 1/20 0.33
PTGFR P43088 1/20 0.33
AKT1 P31749 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 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
SCHEMBL19976944 0.94 MAPK1 (0.36) POLBMAPK1NAMPTPDE2AHTT
SCHEMBL19976777 0.88 POLB (0.39) POLBMAPK1NAMPTKMT2AHPGD
SCHEMBL19976798 0.87 PTGES (0.36) POLBMAPK1KDM4EKMT2AALDH1A1
SCHEMBL19976784 0.85 MAPK1 (0.38) POLBMAPK1NAMPTMAP2K4
SCHEMBL19976928 0.85 CTNNB1 (0.37) POLBMAPK1CTNNB1TCF7L2HTT
SCHEMBL19976727 0.84 GSK3B (0.36) MAPK1CACNA1HPDE2APTGFRGPR139
SCHEMBL16752809 0.84 GSK3B (0.48) MAPK1TRPA1MAP2K4MAPK6
SCHEMBL16752811 0.84 GSK3B (0.48) MAPK1TRPA1MAP2K4MAPK6
SCHEMBL16752808 0.84 GSK3B (0.48) MAPK1TRPA1MAP2K4MAPK6
SCHEMBL19976737 0.84 HPGD (0.35) POLBMAPK1HTTKDM4EKMT2A

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
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed