SCHEMBL15550778

SCHEMBL15550778

N#Cc1c(N)cccc1C=CCO

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ PRKACA P17612 1/20 0.30
▸ PRKACG P22612 1/20 0.30
▸ PRKACB P22694 1/20 0.30

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
SCHEMBL2416039 0.80 NPC1 (0.34) —
SCHEMBL2416043 0.80 NPC1 (0.34) —
SCHEMBL2415600 0.77 CYP3A4 (0.33) KDM1APRKACAPRKACGPRKACB
SCHEMBL2415596 0.77 CYP3A4 (0.33) KDM1APRKACAPRKACGPRKACB
SCHEMBL2417706 0.77 CYP3A4 (0.33) KDM1APRKACAPRKACGPRKACB
SCHEMBL29026736 0.76 PTPN1 (0.40) PTPN1
SCHEMBL21462333 0.75 CA1 (0.46) —
SCHEMBL1535400 0.75 CA1 (0.46) —
SCHEMBL7772319 0.75 ALDH1A1 (0.43) —
SCHEMBL2418536 0.73 ALDH1A1 (0.34) PRKACAPRKACGPRKACB

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-2854546-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF THE ERGOSTEROL BIOSYNTHESIS Bayer Cropscience AG (DE) 2015-04-08 — — EP claimed
WO-2013178648-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE AG (DE) 2013-12-05 — — WO claimed
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