SCHEMBL28975271

SCHEMBL28975271

CC(NC(=O)c1cc(I)ccn1)c1ncc(Br)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ROCK2 O75116 1/20 0.38
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
ANO1 Q5XXA6 2/20 0.36
CTSA P10619 3/20 0.35
RAF1 P04049 1/20 0.35
GRM5 P41594 2/20 0.34
PDE2A O00408 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
MITF O75030 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL69203 0.79 CNR2 (0.37) MEN1KMT2ACTDSP1ROCK2S1PR1
SCHEMBL68154 0.79 SLC6A9 (0.38) KDM4CMEN1KMT2ACTDSP1S1PR1
SCHEMBL13913997 0.76 ACACB (0.42) KMT2AS1PR1S1PR3ACACB
SCHEMBL2428916 0.75 CNR2 (0.39) MEN1KMT2ACTDSP1ROCK2S1PR1
SCHEMBL6489914 0.72 SLC6A9 (0.38) KDM4CMEN1KMT2AROCK2
SCHEMBL6030958 0.71 MAPK1 (0.37) S1PR1S1PR3SMN1; SMN2
SCHEMBL4614047 0.71 CNR2 (0.35) S1PR1S1PR3SMN1; SMN2
SCHEMBL6526700 0.70 PIK3CD (0.44) MEN1KMT2AS1PR3
SCHEMBL6494976 0.70 PIK3CD (0.44) MEN1KMT2AS1PR3
SCHEMBL6502889 0.69 PIK3CD (0.43) MEN1KMT2AROCK2S1PR1S1PR3

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-114158553-B Novel pesticide preparation and preparation method thereof 南开沧州渤海新区绿色化工研究有限公司 2023-02-21 CN disclosed