SCHEMBL7508461

SCHEMBL7508461

CC(=O)NCC1CC(c2ccc(C3=CCN(C4=NC(=O)CS4)CC3)cc2)=NO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MIF P14174 14/20 0.38
RAB9A P51151 3/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL7502963 0.90 MIF (0.40) MIFMAOAMAOB
SCHEMBL7502407 0.89 MIF (0.35) MIFRAB9AMAOAMAOB
SCHEMBL7505315 0.83 MIF (0.38) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL8522145 0.83 NPC1 (0.40) MIFRAB9AHDAC6NPC1
SCHEMBL7505771 0.80 MIF (0.38) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL7504359 0.80 QDPR (0.46) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL7505583 0.79 RAB9A (0.45) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL7507435 0.78 MIF (0.42) MIFRAB9AEGFRMAOAMAOB
SCHEMBL7501044 0.77 RAB9A (0.43) MIFRAB9AHDAC6NPC1SMN1; SMN2
SCHEMBL7507907 0.77 RAB9A (0.48) MIFRAB9AHDAC6NPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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