SCHEMBL7306208

SCHEMBL7306208

[O]c1cccc2c(C(F)(F)F)c(C(F)(F)F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KIF11 P52732 1/20 0.33
PARP1 P09874 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
HSD11B1 P28845 1/20 0.32
AXL P30530 1/20 0.30

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
SCHEMBL18241857 0.79 KDM4E (0.43) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL14932033 0.79 HSD11B1 (0.41) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL12310597 0.79 GAA (0.32) KDM4EKMT2AALDH1A1POLBKIF11
SCHEMBL5254379 0.77 KIF11 (0.33) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5254383 0.77 CYP1A2 (0.50) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL18244061 0.75 KIF11 (0.37) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7302829 0.74
SCHEMBL7301457 0.74
SCHEMBL7298662 0.72 CES2 (0.34) POLBKIF11HSD11B1
SCHEMBL7028820 0.72 CES2 (0.34) POLBKIF11HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed