SCHEMBL19976739

SCHEMBL19976739

COC[C@H](C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1[nH]nc2c(F)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.35
PRKD1 Q15139 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPK1 P28482 3/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR5A P47898 2/20 0.32
RAB9A P51151 2/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 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
SCHEMBL19976740 0.93 HPGD (0.39) HPGDPOLBPRKD1AURKARPS6KB1
SCHEMBL19976737 0.92 HPGD (0.35) HPGDPOLBPRKD1AURKARPS6KB1
SCHEMBL19976777 0.89 POLB (0.39) HPGDPOLBPRKD1MAPK1LMNA
SCHEMBL19976784 0.84 MAPK1 (0.38) POLBMAPK1
SCHEMBL19976880 0.83 PDE10A (0.36) HPGDPOLBMAPK1LMNA
SCHEMBL19976944 0.82 MAPK1 (0.36) HPGDPOLBMAPK1LMNAKMT2A
SCHEMBL19976851 0.82 POLB (0.35) HPGDPOLBMAPK1LMNAKMT2A
SCHEMBL19976909 0.80 POLB (0.34) HPGDPOLBMAPK1LMNARAB9A
SCHEMBL18558632 0.80 RAB9A (0.47) MAPK1LMNAMEN1KMT2ARAB9A
SCHEMBL19362791 0.80 RAB9A (0.39) POLBMAPK1LMNAMEN1KMT2A

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