SCHEMBL28806027

SCHEMBL28806027

O=COC(Cc1cnc[nH]1)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
CYP19A1 P11511 5/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HIF1A Q16665 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC7A5 Q01650 1/20 0.38
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL27840973 0.80 HIF1A (0.47) CYP19A1TAAR1HIF1AHRH4HRH3
SCHEMBL27998280 0.72
SCHEMBL28027221 0.68 ADRA2A (0.56)
SCHEMBL28261213 0.67 CYP19A1 (0.48) CYP19A1
SCHEMBL28262437 0.66 CYP19A1 (0.44) ITGB2ICAM1ITGALCYP19A1HRH4
L-Histidinal SCHEMBL12652228 0.62 HRH4 (0.59) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL27680736 0.62 HRH3 (0.50) HRH4HRH3LMNAAPEX1
L-Histidinal SCHEMBL65206 0.62 HRH4 (0.59) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL12228688 0.62 HRH3 (0.59) HRH4HRH3ALDH1A1MEN1GLA
L-Histidinal SCHEMBL1080911 0.62 HRH4 (0.59) HRH4HRH3ALDH1A1MEN1GLA

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
CN-103153962-A Fungicidal imidazoles DU PONT 2013-06-12 CN disclosed