SCHEMBL19976803

SCHEMBL19976803

COC[C@H](C)N/C(=N/C(=O)c1ccc(Cl)cc1)Nc1[nH]nc2cc(F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.38
DGAT2 Q96PD7 2/20 0.38
HPGD P15428 1/20 0.37
NAMPT P43490 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.36
MAP2K4 P45985 1/20 0.35
PTGS2 P35354 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL19976833 0.93 HPGD (0.41) MAPK1DGAT2HPGDLMNAKDM4E
SCHEMBL19976770 0.92 MAPK1 (0.38) MAPK1DGAT2HPGDNAMPTALDH1A1
SCHEMBL19976784 0.91 MAPK1 (0.38) MAPK1DGAT2NAMPTMAP2K4POLB
SCHEMBL19976786 0.91 HPGD (0.48) MAPK1DGAT2HPGDNAMPTLMNA
SCHEMBL19976928 0.89 CTNNB1 (0.37) MAPK1HPGDLMNAKDM4EALDH1A1
SCHEMBL19976807 0.86 MAPK1 (0.37) MAPK1DGAT2HPGDNAMPTPOLB
SCHEMBL19976806 0.85 HPGD (0.51) MAPK1HPGDLMNAKDM4EALDH1A1
SCHEMBL18558194 0.83 RAB9A (0.47) KDM4EALDH1A1GAA
SCHEMBL18558474 0.82 RAB9A (0.43) MAPK1HPGDLMNAKDM4EALDH1A1
SCHEMBL19976777 0.82 POLB (0.39) MAPK1DGAT2HPGDNAMPTLMNA

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