SCHEMBL7501044

SCHEMBL7501044

CC(=O)NC[C@H]1CC(c2ccc(C3=CCN(C(=O)CO)CC3)cc2)=NO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MIF P14174 11/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 1/20 0.38
QDPR P09417 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
SCHEMBL7501060 1.00 RAB9A (0.43) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7508392 0.91 RAB9A (0.43) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7504359 0.91 QDPR (0.46) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7505583 0.90 RAB9A (0.45) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7503942 0.89 MIF (0.43) MIFHDAC6CCNT1CDK9
SCHEMBL7507907 0.88 RAB9A (0.48) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7502878 0.87 MIF (0.39) RAB9AMIFHDAC6CCNT1CDK9
SCHEMBL7504576 0.86 NAMPT (0.48) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL5655313 0.82 MIF (0.37) RAB9AMIFHDAC6CCNT1CDK9
SCHEMBL7462966 0.82 RAB9A (0.47) 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 9 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-A1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-06-09 EP claimed
WO-1998007708-A1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1998-02-26 WO 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