SCHEMBL19976786

SCHEMBL19976786

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.37
MAPK1 P28482 9/20 0.36
DGAT2 Q96PD7 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKD1 Q15139 1/20 0.34
IDO1 P14902 1/20 0.34
VNN1 O95497 1/20 0.34
NAMPT P43490 2/20 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
SCHEMBL19976806 0.93 HPGD (0.51) HPGDLMNAMAPK1KDM4EALDH1A1
SCHEMBL19976807 0.91 MAPK1 (0.37) HPGDMAPK1DGAT2PRKD1NAMPT
SCHEMBL19976803 0.91 MAPK1 (0.38) HPGDLMNAMAPK1DGAT2KDM4E
SCHEMBL19976784 0.89 MAPK1 (0.38) MAPK1DGAT2NAMPT
SCHEMBL19976770 0.86 MAPK1 (0.38) HPGDMAPK1DGAT2ALDH1A1NAMPT
SCHEMBL19976833 0.85 HPGD (0.41) HPGDLMNAMAPK1DGAT2KDM4E
SCHEMBL19976777 0.81 POLB (0.39) HPGDLMNAMAPK1DGAT2PRKD1
SCHEMBL19976928 0.80 CTNNB1 (0.37) HPGDLMNAMAPK1KDM4EALDH1A1
SCHEMBL19976944 0.80 MAPK1 (0.36) HPGDLMNAMAPK1KDM4EALDH1A1
SCHEMBL19976798 0.79 PTGES (0.36) LMNAMAPK1DGAT2KDM4EALDH1A1

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