SCHEMBL8818583

SCHEMBL8818583

FC(F)(F)c1ccccc1-c1nc2c(-c3ccccc3)cccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.63
▸ PTGES O14684 1/20 0.49
▸ MGAM O43451 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ SI P14410 3/20 0.46
▸ MGAM2 Q2M2H8 3/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ DHODH Q02127 5/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ ENPP1 P22413 1/20 0.43
▸ NPY5R Q15761 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL1170898 0.83 DHODH (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8818566 0.82 PARP1 (0.60) PARP1MGAMGAASIMGAM2
SCHEMBL31027957 0.81 DHODH (0.59) PARP1MGAMGAASIMGAM2
SCHEMBL1889612 0.81 PARP1 (0.80) PARP1DHODH
SCHEMBL8818540 0.81 PARP1 (0.62) PARP1MGAMGAASIMGAM2
SCHEMBL1830191 0.80 DHODH (0.51) PARP1MGAMGAASIMGAM2
SCHEMBL7146754 0.80 DHODH (0.62) PARP1MGAMGAASIMGAM2
SCHEMBL505343 0.79 DHODH (0.57) PARP1MGAMGAASIMGAM2
SCHEMBL4457030 0.79 DHODH (0.53) PARP1MGAMGAASIMGAM2
SCHEMBL230979 0.79 DHODH (0.53) PARP1MGAMGAASIMGAM2

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
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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