SCHEMBL29356162

SCHEMBL29356162

Ic1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATR Q13535 11/20 0.36
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ELOVL1 Q9BW60 2/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL22468349 1.00 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9AATR
SCHEMBL22468358 0.82 ATR (0.37) KDM4CNPC1RAB9AATRPDE10A
SCHEMBL22488048 0.82 ATR (0.37) KDM4CNPC1RAB9AATRPDE10A
SCHEMBL22488031 0.82 ATR (0.37) KDM4CNPC1RAB9AATRPDE10A
SCHEMBL17594700 0.80 KDM4C (0.45) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL22488550 0.78 BRAF (0.48) BRAF
SCHEMBL29359192 0.77 BRAF (0.43) BRAF
SCHEMBL22468354 0.77 BRAF (0.43) BRAF
SCHEMBL22468414 0.74 CYP2C19 (0.39) KMT2AELOVL1BRAF
SCHEMBL22468377 0.74 KMT2A (0.43) KMT2AELOVL1

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-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed