SCHEMBL8774026

SCHEMBL8774026

CCC[C@H]1CC[C@H](C(=O)Oc2cc(F)c(F)nc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 2/20 0.34
CA2 P00918 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 1/20 0.33
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GRK6 P43250 1/20 0.32
GAA P10253 1/20 0.32
GRM1 Q13255 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8774033 1.00 KMT2A (0.35) KMT2AL3MBTL1MEN1RAB9ASCN9A
SCHEMBL8774786 0.96 KMT2A (0.33) KMT2AL3MBTL1MEN1RAB9ASCN9A
SCHEMBL8774779 0.96 KMT2A (0.33) KMT2AL3MBTL1MEN1RAB9ASCN9A
SCHEMBL8774795 0.96 KMT2A (0.33) KMT2AL3MBTL1MEN1RAB9ASCN9A
SCHEMBL8774658 0.93 MAPT (0.39) KMT2AL3MBTL1MEN1RAB9ASCN9A
SCHEMBL8774649 0.93 MAPT (0.39) KMT2AL3MBTL1MEN1RAB9ASCN9A
SCHEMBL8774911 0.92 PKM (0.38) KMT2AL3MBTL1MEN1RAB9ACA2
SCHEMBL8774918 0.92 PKM (0.38) KMT2AL3MBTL1MEN1RAB9ACA2
SCHEMBL8774756 0.90 L3MBTL1 (0.37) KMT2AL3MBTL1MEN1RAB9ACA2
SCHEMBL8774765 0.90 L3MBTL1 (0.37) KMT2AL3MBTL1MEN1RAB9ACA2

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed