SCHEMBL19976737

SCHEMBL19976737

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
CYP2C9 P11712 1/20 0.33
SLC9A1 P19634 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
PRKD1 Q15139 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32
AURKB Q96GD4 1/20 0.32
MAPK1 P28482 2/20 0.32
NTRK1 P04629 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
LMNA P02545 2/20 0.31

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 0.92 HPGD (0.37) HPGDPOLBPRKD1ALDH1A1HTT
SCHEMBL19976740 0.89 HPGD (0.39) HPGDPOLBPRKD1ALDH1A1AURKA
SCHEMBL19976777 0.86 POLB (0.39) HPGDPOLBPRKD1MAPK1LMNA
SCHEMBL19976851 0.84 POLB (0.35) HPGDPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL19976944 0.84 MAPK1 (0.36) HPGDPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL19976784 0.82 MAPK1 (0.38) POLBMAPK1
SCHEMBL19976880 0.80 PDE10A (0.36) HPGDPOLBMAPK1LMNA
SCHEMBL9921120 0.80 HPGD (0.37) HPGDPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL19976909 0.78 POLB (0.34) HPGDPOLBALDH1A1HTTMAPK1
SCHEMBL16752808 0.77 GSK3B (0.48) MAPK1

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