SCHEMBL8975296

SCHEMBL8975296

O=C(NCc1ccccc1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.72
ACHE P22303 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.64
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 1/20 0.56
PPARG P37231 2/20 0.56
SCN2A Q99250 1/20 0.56
SCN10A Q9Y5Y9 1/20 0.56
HPGDS O60760 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PLAU P00749 1/20 0.55
HPGD P15428 1/20 0.54
MMP13 P45452 1/20 0.54
ROCK2 O75116 1/20 0.54
RPS6KA5 O75582 1/20 0.54
MAP4K4 O95819 1/20 0.54

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
SCHEMBL1767586 0.86 BCHE (0.57) BCHEACHEL3MBTL1MEN1NPC1
SCHEMBL2836336 0.84 BCHE (0.69) BCHEACHEHDAC2HDAC8HDAC6
SCHEMBL2915318 0.84 HDAC6 (0.74) HDAC2HDAC8HDAC6KMT2AHPGDS
SCHEMBL1767471 0.83 SMN1; SMN2 (0.65) BCHEACHEL3MBTL1HDAC2HDAC8
SCHEMBL23985245 0.81 NPC1 (0.61) L3MBTL1MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL23309631 0.81 ALDH1A1 (0.61) L3MBTL1HDAC2HDAC8HDAC6HPGDS
SCHEMBL11900090 0.79 HDAC6 (0.85) HDAC2HDAC8HDAC6HPGDMMP13
SCHEMBL457082 0.79 HDAC6 (0.79) HDAC2HDAC8HDAC6HPGDROCK2
SCHEMBL4067449 0.78 L3MBTL1 (1.00) L3MBTL1HDAC2HDAC8HDAC6NPC1
SCHEMBL5226231 0.78 HDAC6 (0.72) L3MBTL1HDAC2HDAC8HDAC6MEN1

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
JP-8208615-A None JP disclosed
JP-H08208615-A 2,6-DICHLOROISONICOTINIC ACID BENZYLAMIDE DERIVATIVE AND PLANT DISEASE INJURY-CONTROLLING AGENT DAINIPPON INK & CHEM INC 1996-08-13 JP disclosed