SCHEMBL6689557

SCHEMBL6689557

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
NTRK2 Q16620 1/20 0.40
MRGPRX1 Q96LB2 3/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
F7 P08709 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
LMNA P02545 1/20 0.38
PTPRZ1 P23471 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6689560 1.00 FFAR4 (0.41) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6690101 0.87 ATM (0.47) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6690103 0.87 ATM (0.47) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6694003 0.86 BCHE (0.44) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6694007 0.86 BCHE (0.44) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6693067 0.86 MAOB (0.45) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6693062 0.86 MAOB (0.45) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6685506 0.83 PDCD1 (0.53) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6685503 0.83 PDCD1 (0.53) FFAR4NPC1PKMRAB9ANTRK1
SCHEMBL6693045 0.81 MTNR1A (0.52) NPC1PKMRAB9ACSF1RMRGPRX1

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