SCHEMBL8733976

SCHEMBL8733976

O=C(O)c1cn(CCF)c2c(C(F)(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.46
HSD17B10 Q99714 4/20 0.46
PMP22 Q01453 1/20 0.45
DRD3 P35462 1/20 0.43
POLB P06746 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.40
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
BRD4 O60885 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP2J2 P51589 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8735871 0.89 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL500481 0.89 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10511940 0.85 KMT2A (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8064225 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8733645 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10330760 0.80 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL7011663 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9098398 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8059291 0.79 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10681198 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22

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-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed