SCHEMBL19976807

SCHEMBL19976807

COC[C@H](C)N/C(=N/C(=O)c1cccc(O)c1)Nc1[nH]nc2cc(F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.37
HPGD P15428 1/20 0.36
PRKD1 Q15139 1/20 0.35
NAMPT P43490 2/20 0.34
POLB P06746 1/20 0.34
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL19976786 0.91 HPGD (0.48) MAPK1HPGDPRKD1NAMPTDGAT2
SCHEMBL19976770 0.91 MAPK1 (0.38) MAPK1HPGDNAMPTPOLBDGAT2
SCHEMBL19976784 0.88 MAPK1 (0.38) MAPK1NAMPTPOLBDGAT2
SCHEMBL19976803 0.86 MAPK1 (0.38) MAPK1HPGDNAMPTPOLBDGAT2
SCHEMBL19976806 0.84 HPGD (0.51) MAPK1HPGDPRKD1POLB
SCHEMBL19976777 0.80 POLB (0.39) MAPK1HPGDPRKD1NAMPTPOLB
SCHEMBL19976833 0.79 HPGD (0.41) MAPK1HPGDPOLBDGAT2
SCHEMBL19976944 0.79 MAPK1 (0.36) MAPK1HPGDNAMPTPOLB
SCHEMBL19976798 0.77 PTGES (0.36) MAPK1POLBDGAT2
SCHEMBL19976739 0.76 HPGD (0.37) MAPK1HPGDPRKD1POLB

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