SCHEMBL9684178

SCHEMBL9684178

CC(=O)c1c(C(F)(F)F)nc[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ ALK Q9UM73 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PDPK1 O15530 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ BCAT2 O15382 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ GDA Q9Y2T3 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL9582021 0.74 HPGD (0.47) HPGDPARP1ALDH1A1PDPK1PIM1
SCHEMBL22139858 0.72 HPGD (0.44) HPGDPARP1ALDH1A1PDPK1PIM1
SCHEMBL9723069 0.71 HPGD (0.44) HPGDPARP1ALDH1A1PDPK1PIM1
SCHEMBL9723056 0.71 HPGD (0.41) HPGDPARP1ALKALDH1A1PDPK1
SCHEMBL9340305 0.71 HPGD (0.43) HPGDPARP1ALDH1A1PDPK1PIM1
SCHEMBL4231028 0.71 HPGD (0.67) HPGDPARP1ALDH1A1PDPK1PIM1
SCHEMBL9723032 0.71 HPGD (0.47) HPGDPARP1ALDH1A1PDPK1PIM1
SCHEMBL9723036 0.70 HPGD (0.40) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL9723132 0.68 HPGD (0.41) HPGDPARP1ALKALDH1A1PDPK1
SCHEMBL9683218 0.68 HPGD (0.38) HPGDPARP1ALDH1A1KDM5BPDE2A

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
EP-0481604-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-22 — — EP disclosed
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