SCHEMBL6686469

SCHEMBL6686469

COc1cc(CNC(CC(C)C)C(N)=O)ccc1OCc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSD P07339 3/20 0.44
REN P00797 1/20 0.44
RAB9A P51151 2/20 0.43
SCN9A Q15858 2/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
LARS1 Q9P2J5 1/20 0.41

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
SCHEMBL6686470 1.00 KMT2A (0.53) KMT2AMEN1ATMSMN1; SMN2GAA
SCHEMBL6687911 0.89 KMT2A (0.56) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL6687908 0.89 KMT2A (0.56) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL6685320 0.87 KMT2A (0.55) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL6690744 0.87 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL6690750 0.87 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL6690285 0.87 KMT2A (0.55) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL6685580 0.82 ATM (0.49) KMT2AATMSMN1; SMN2ALDH1A1CTSD
SCHEMBL6685585 0.82 ATM (0.49) KMT2AATMSMN1; SMN2ALDH1A1CTSD
SCHEMBL6690108 0.81 SMN1; SMN2 (0.56) KMT2AMEN1SMN1; SMN2GAAHTT

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
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed