SCHEMBL7500260

SCHEMBL7500260

CC(=O)NCC1CC(c2ccc(C3=CCN(N4NC(=O)CS4)CC3)c(F)c2)=NO1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MIF P14174 14/20 0.41
MAOA P21397 2/20 0.37
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7502032 0.90 MIF (0.37) MIFMAOAHDAC6RAB9ANPC1
SCHEMBL7502020 0.90 MIF (0.39) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7502515 0.82 MIF (0.43) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7502963 0.80 MIF (0.40) MIFMAOA
SCHEMBL7503942 0.80 MIF (0.43) MIFMAOAHDAC6
SCHEMBL7500699 0.79 MIF (0.47) MIFMAOARAB9ANPC1SMN1; SMN2
SCHEMBL7506170 0.78 MIF (0.40) MIFMAOAHDAC6
SCHEMBL13298912 0.77 MIF (0.59) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7503149 0.76 MIF (0.40) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7505338 0.76 MIF (0.43) MIFMAOAHDAC6RAB9A

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-0920421-B1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-11-06 EP claimed