SCHEMBL5751749

SCHEMBL5751749

Cc1[nH]c(C(=O)O)cc1Br.Cc1[nH]c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 3/20 0.35
XDH P47989 1/20 0.34
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34
TTR P02766 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PIN1 Q13526 1/20 0.32
TPMT P51580 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
SCHEMBL3282007 0.94 XDH (0.37) XDHTTRLMNA
SCHEMBL3117809 0.81 ALOX15 (0.46) TTRKDM4EHPGDALOX15NFKB1
SCHEMBL17130065 0.73 XDH (0.57) XDHKDM4EALDH1A1
SCHEMBL402033 0.70 ALDH1A1 (0.50) KDM4EHPGDALOX15SMN1; SMN2ALDH1A1
SCHEMBL5889599 0.69 MMP1 (0.39) KDM4E
SCHEMBL23421678 0.69 HRH3 (0.46) KDM4EHPGDALOX15SMN1; SMN2ALDH1A1
SCHEMBL27925124 0.68 POLB (0.46) HPGDLMNATPMT
SCHEMBL8444440 0.67 NFKB1 (0.46) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL17999890 0.67 MAP2K1 (0.41) XDHTTRKDM4EHPGDSMN1; SMN2
SCHEMBL5889521 0.67 HRH3 (0.64) XDHKDM4EHPGDNFKB1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 WO disclosed