SCHEMBL27615166

SCHEMBL27615166

CC(N)(Cl)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM2 P08172 1/20 0.42
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
BLM P54132 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 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
SCHEMBL1114414 0.82 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
SCHEMBL6348517 0.82 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
SCHEMBL21742132 0.82 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
SCHEMBL1921572 0.82 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
SCHEMBL29435883 0.82 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
SCHEMBL864064 0.81 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
Iodide SCHEMBL7512247 0.80 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
Hydrochloric Acid SCHEMBL21810899 0.80 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
Hydrochloric Acid SCHEMBL19814625 0.80 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1
Hydrochloric Acid SCHEMBL15353020 0.80 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CHRM2NOS3NOS1

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
CN-1688546-A Pyridinyl amides and imides for use as fungicides DU PONT (US) 2005-10-26 CN disclosed
CN-1684946-A Pyridinyl amides and compositions thereof for use as fungicides DU PONT (US) 2005-10-19 CN disclosed