SCHEMBL6173311

SCHEMBL6173311

O=S1(=O)CCN(c2ccc(C3=NO[C@H](COc4ccon4)C3)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 15/20 0.40
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 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
SCHEMBL5654369 1.00 MIF (0.40) MIFCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5655145 0.88 PDE3B (0.42) MIFPDE3BPDE3A
SCHEMBL5655143 0.88 PDE3B (0.42) MIFPDE3BPDE3A
SCHEMBL5654140 0.87 MIF (0.39) MIFPDE3BPDE3AKDM4EALDH1A1
SCHEMBL5654239 0.87 MIF (0.39) MIFPDE3BPDE3A
SCHEMBL5654236 0.87 MIF (0.39) MIFPDE3BPDE3A
SCHEMBL5654137 0.87 MIF (0.39) MIFPDE3BPDE3AKDM4EALDH1A1
SCHEMBL5653159 0.85 MIF (0.38) MIFPDE3BPDE3AKDM4EALDH1A1
SCHEMBL5653151 0.85 MIF (0.38) MIFPDE3BPDE3AKDM4EALDH1A1
SCHEMBL5654604 0.85 MIF (0.45) MIFMAPTLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP disclosed