SCHEMBL6002450

SCHEMBL6002450

[CH2]COC(=O)N(C)c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.39
RIPK1 Q13546 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
BCHE P06276 1/20 0.36
SCN9A Q15858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
KCNH2 Q12809 1/20 0.32
EPHX2 P34913 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL2091261 0.88 DDB1 (0.40) RIPK1SCN9AKMT2AKDM4ECHRNB2
SCHEMBL2089455 0.86 PTGIR (0.36) PTGIRRIPK1CES2CES1BCHE
SCHEMBL2095839 0.83 SCN9A (0.41) RIPK1CES2CES1SCN9AKMT2A
SCHEMBL6003215 0.76 SIGMAR1 (0.54) LMNA
SCHEMBL6002255 0.76 RXRA (0.39) SCN9AKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL9363816 0.75 TSPO (0.45) RIPK1CES2CES1BCHEKMT2A
SCHEMBL2091488 0.75 CES2 (0.44) PTGIRRIPK1CES2CES1BCHE
SCHEMBL2091484 0.75 CES2 (0.44) RIPK1CES2CES1BCHETDP1
SCHEMBL2093891 0.75 CHRNB2 (0.36) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2091852 0.74 HSD17B1 (0.45) RIPK1SCN9AKMT2AKDM4ENLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed