SCHEMBL7258115

SCHEMBL7258115

CCCCCN(C)c1ncc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
DNM1 Q05193 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
RAB9A P51151 4/20 0.35
GBA1 P04062 1/20 0.34
AR P10275 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
NPC1 O15118 2/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EHMT2 Q96KQ7 2/20 0.32
EHMT1 Q9H9B1 2/20 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
SCHEMBL13879783 0.83 PTPN11 (0.37) PTPN11DNM1GPR84ARFLT3
SCHEMBL15877149 0.83 GBA1 (0.39) DNM1RAB9AGBA1NPC1NFKB1
SCHEMBL17967543 0.81 DNM1 (0.40) DNM1RAB9AGBA1NPC1NFKB1
SCHEMBL17967579 0.81 DNM1 (0.40) DNM1RAB9AGBA1NPC1NFKB1
SCHEMBL17654205 0.78 GBA1 (0.44) RAB9AGBA1NPC1MAPK1SMN1; SMN2
SCHEMBL7254985 0.77 GBA1 (0.40) RAB9AGBA1NPC1NFKB1MAPK1
SCHEMBL13271174 0.75 GBA1 (0.33) GBA1
SCHEMBL3606370 0.74 ACACB (0.41) MAPK1EHMT2EHMT1
SCHEMBL12889037 0.74 PTPN11 (0.40) PTPN11ARFLT3TYRO3MERTK
SCHEMBL31217157 0.71 GBA1 (0.56) PTPN11RAB9AGBA1ARNPC1

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
WO-2003040132-A1 Δ1-PYRROLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-05-15 WO disclosed
WO-2003040092-A2 $g(D)1-PYRROLINES BAYER AKTIENGESELLSCHAFT (DE) 2003-05-15 WO disclosed