SCHEMBL6687571

SCHEMBL6687571

COc1cc(CNC(C)C(N)=O)ccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
SCN9A Q15858 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
CASR P41180 2/20 0.46
CTSD P07339 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6687574 1.00 MAOB (0.47) MAOBMAOASCN9ATMEM97KMT2A
SCHEMBL6690012 0.93 SMN1; SMN2 (0.48) MAOBMAOASCN9AKMT2ASMN1; SMN2
SCHEMBL6685585 0.89 ATM (0.49) TMEM97KMT2ASMN1; SMN2LMNACASR
SCHEMBL6685580 0.89 ATM (0.49) TMEM97KMT2ASMN1; SMN2LMNACASR
SCHEMBL6687232 0.88 MAOB (0.51) MAOBMAOASCN9ACTSDNPC1
SCHEMBL6687236 0.88 MAOB (0.51) MAOBMAOASCN9ACTSDNPC1
SCHEMBL6693067 0.87 MAOB (0.45) MAOBMAOASCN9ANPC1PKM
SCHEMBL6693062 0.87 MAOB (0.45) MAOBMAOASCN9ANPC1PKM
SCHEMBL6690267 0.86 CTSD (0.47) TMEM97KMT2ASMN1; SMN2LMNACTSD
SCHEMBL6690272 0.86 CTSD (0.47) TMEM97KMT2ASMN1; SMN2LMNACTSD

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