SCHEMBL7507435

SCHEMBL7507435

CC(=O)NCC1CC(c2ccc(C3CCN(C4=NC(=O)CS4)CC3)c(F)c2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 14/20 0.42
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
EGFR P00533 1/20 0.35
LMNA P02545 2/20 0.34
PTGS1 P23219 1/20 0.34
CALML3 P27482 1/20 0.34
SDHA P31040 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7503523 0.90 MAOA (0.39) MIFMAOAMAOBLMNAPTGS1
SCHEMBL7505315 0.87 MIF (0.38) MIFEGFRRAB9A
SCHEMBL7501963 0.83 MIF (0.50) MIFMAOAMAOBRAB9A
SCHEMBL7507033 0.82 MIF (0.42) MIFMAOAMAOBLMNARAB9A
SCHEMBL7502963 0.82 MIF (0.40) MIFMAOAMAOB
SCHEMBL7502877 0.81 MIF (0.46) MIFRAB9A
SCHEMBL7502515 0.80 MIF (0.43) MIFRAB9A
SCHEMBL7502340 0.80 MIF (0.51) MIFMAOAMAOBLMNAPTGS1
SCHEMBL6397343 0.80 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6397336 0.80 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3

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