SCHEMBL7504359

SCHEMBL7504359

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.46
RAB9A P51151 3/20 0.46
MIF P14174 12/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.41
GHSR Q92847 1/20 0.39
SYK P43405 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
SCHEMBL7505583 0.93 RAB9A (0.45) QDPRRAB9AMIFHDAC6NPC1
SCHEMBL7501044 0.91 RAB9A (0.43) QDPRRAB9AMIFHDAC6NPC1
SCHEMBL7501060 0.91 RAB9A (0.43) QDPRRAB9AMIFHDAC6NPC1
SCHEMBL7507907 0.91 RAB9A (0.48) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7504576 0.88 NAMPT (0.48) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7508392 0.84 RAB9A (0.43) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7505771 0.82 MIF (0.38) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7503942 0.80 MIF (0.43) MIFHDAC6
SCHEMBL7507914 0.80 RAB9A (0.46) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7508461 0.80 MIF (0.38) RAB9AMIFHDAC6NPC1SMN1; 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 7 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
US-5990136-A EFFECTIVE AGAINST GRAMPOSITIVE AEROBIC BACTERIA, E.G. MULTIPLY-RESISTANT STAPHYLOCOCCI AND STREPTOCOCCI, AS WELL AS ANAEROBIC ORGANISMS, E.G. BACTEROIDES, CLOSTRIDIA, MYCOBACTERIUM TUBERCULOSIS AND MYCOBACTERIUM AVIUM PHARMACIA & UPJOHN COMPANY (US) 1999-11-23 US claimed
EP-0920421-B1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-11-06 EP disclosed
US-6093736-A ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2000-07-25 US disclosed
US-5990136-A EFFECTIVE AGAINST GRAMPOSITIVE AEROBIC BACTERIA, E.G. MULTIPLY-RESISTANT STAPHYLOCOCCI AND STREPTOCOCCI, AS WELL AS ANAEROBIC ORGANISMS, E.G. BACTEROIDES, CLOSTRIDIA, MYCOBACTERIUM TUBERCULOSIS AND MYCOBACTERIUM AVIUM PHARMACIA & UPJOHN COMPANY (US) 1999-11-23 US disclosed
EP-0920421-A1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-06-09 EP disclosed
WO-1998007708-A1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1998-02-26 WO disclosed