SCHEMBL19976740

SCHEMBL19976740

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.37
DGAT2 Q96PD7 2/20 0.36
MAPK1 P28482 7/20 0.34
MAPK3 P27361 2/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
POLB P06746 1/20 0.33
HTR5A P47898 2/20 0.33
PRKD1 Q15139 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 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
SCHEMBL19976739 0.93 HPGD (0.37) HPGDLMNAMAPK1POLBHTR5A
SCHEMBL19976737 0.89 HPGD (0.35) HPGDLMNAMAPK1ROCK2ROCK1
SCHEMBL19976777 0.86 POLB (0.39) HPGDLMNADGAT2MAPK1POLB
SCHEMBL19976784 0.82 MAPK1 (0.38) DGAT2MAPK1POLB
SCHEMBL19976759 0.81 LMNA (0.36) HPGDLMNADGAT2MAPK1POLB
SCHEMBL19976880 0.81 PDE10A (0.36) HPGDLMNAMAPK1POLB
SCHEMBL19362794 0.81 RAB9A (0.47) LMNAROCK2ROCK1KDM4EALDH1A1
SCHEMBL19976944 0.80 MAPK1 (0.36) HPGDLMNAMAPK1POLBKDM4E
SCHEMBL19976851 0.80 POLB (0.35) HPGDLMNAMAPK1POLBKDM4E
SCHEMBL18558416 0.79 RAB9A (0.37) HPGDLMNAMAPK1ROCK2ROCK1

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