SCHEMBL7507907

SCHEMBL7507907

COC(=O)N1CC=C(c2ccc(C3=NOC(CNC(C)=O)C3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
MIF P14174 14/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL7504576 0.92 NAMPT (0.48) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7504359 0.91 QDPR (0.46) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7505583 0.90 RAB9A (0.45) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7501044 0.88 RAB9A (0.43) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7501060 0.88 RAB9A (0.43) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7508392 0.82 RAB9A (0.43) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7505771 0.80 MIF (0.38) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7502020 0.78 MIF (0.39) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7503942 0.78 MIF (0.43) MIFHDAC6
SCHEMBL7507914 0.77 RAB9A (0.46) 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 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