SCHEMBL19976777

SCHEMBL19976777

COC[C@H](C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1[nH]nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PLD1 Q13393 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 8/20 0.34
LMNA P02545 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
PRKD1 Q15139 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL19976784 0.90 MAPK1 (0.38) POLBMAPK1DGAT2NAMPT
SCHEMBL19976739 0.89 HPGD (0.37) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL19976851 0.88 POLB (0.35) POLBHPGDKMT2AMAPK1LMNA
SCHEMBL19976944 0.88 MAPK1 (0.36) POLBHPGDKMT2AMAPK1LMNA
SCHEMBL19976880 0.87 PDE10A (0.36) POLBHPGDMAPK1LMNANAMPT
SCHEMBL19976740 0.86 HPGD (0.39) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL19976737 0.86 HPGD (0.35) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL19976909 0.84 POLB (0.34) POLBHPGDMAPK1LMNANAMPT
SCHEMBL19976759 0.82 LMNA (0.36) POLBHPGDMAPK1LMNADGAT2
SCHEMBL19976803 0.82 MAPK1 (0.38) POLBHPGDMAPK1LMNADGAT2

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