SCHEMBL7502020

SCHEMBL7502020

CC(=O)NCC1CC(c2ccc(C3=CCN(N4NC(=O)CS4)CC3)cc2)=NO1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 16/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7500260 0.90 MIF (0.41) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7502032 0.89 MIF (0.37) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7503149 0.84 MIF (0.40) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7504359 0.79 QDPR (0.46) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7507907 0.78 RAB9A (0.48) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7505583 0.78 RAB9A (0.45) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7502515 0.78 MIF (0.43) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7508461 0.77 MIF (0.38) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7501060 0.77 RAB9A (0.43) MIFHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL7501044 0.77 RAB9A (0.43) MIFHDAC6RAB9ANPC1SMN1; SMN2

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 3 patents. 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
EP-1173468-A1 INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-01-23 EP disclosed
WO-2000066618-A1 INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-09 WO disclosed