SCHEMBL19976880

SCHEMBL19976880

COC[C@H](C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1[nH]nc2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
POLB P06746 1/20 0.35
NAMPT P43490 2/20 0.35
MAPK1 P28482 6/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
PDPK1 O15530 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SLC6A9 P48067 1/20 0.32
RIPK1 Q13546 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL19976777 0.87 POLB (0.39) POLBNAMPTMAPK1HPGDLMNA
SCHEMBL19976784 0.83 MAPK1 (0.38) POLBNAMPTMAPK1
SCHEMBL19976739 0.83 HPGD (0.37) POLBMAPK1HPGDLMNA
SCHEMBL19976909 0.82 POLB (0.34) POLBNAMPTMAPK1HPGDLMNA
SCHEMBL19976740 0.81 HPGD (0.39) POLBMAPK1HPGDLMNA
SCHEMBL19976737 0.80 HPGD (0.35) POLBMAPK1HPGDLMNA
SCHEMBL19976851 0.80 POLB (0.35) POLBNAMPTMAPK1HPGDLMNA
SCHEMBL19976944 0.80 MAPK1 (0.36) POLBNAMPTMAPK1HPGDLMNA
SCHEMBL19976759 0.80 LMNA (0.36) POLBMAPK1HPGDLMNA
SCHEMBL19362791 0.79 RAB9A (0.39) POLBNAMPTMAPK1LMNA

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