SCHEMBL19976798

SCHEMBL19976798

COC[C@H](C)N/C(=N/C(=O)c1ccc(Cl)c(F)c1)Nc1[nH]nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.36
MAPK1 P28482 4/20 0.35
DGAT2 Q96PD7 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE6D O43924 1/20 0.32
PDE5A O76074 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 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 0.93 MAPK1 (0.36) MAPK1LMNAMAPTKMT2AKDM4E
SCHEMBL19976728 0.91 PTGES (0.37) PTGESMAPK1HDAC6MAPTMEN1
SCHEMBL19976928 0.91 CTNNB1 (0.37) PTGESMAPK1LMNAKMT2AKDM4E
SCHEMBL19976851 0.87 POLB (0.35) MAPK1LMNAMAPTKMT2AKDM4E
SCHEMBL19976727 0.84 GSK3B (0.36) PTGESMAPK1HDAC6LMNAMAPT
SCHEMBL19976784 0.83 MAPK1 (0.38) MAPK1DGAT2POLB
SCHEMBL19976803 0.81 MAPK1 (0.38) MAPK1DGAT2LMNAKDM4EALDH1A1
SCHEMBL9921021 0.81 LMNA (0.37) MAPK1DGAT2HDAC6LMNAMAPT
SCHEMBL19976833 0.81 HPGD (0.41) MAPK1DGAT2LMNAMAPTKDM4E
SCHEMBL19976777 0.81 POLB (0.39) MAPK1DGAT2LMNAMEN1KMT2A

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