SCHEMBL27645860

SCHEMBL27645860

O=C(NCO)c1cnn(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.64
▸ ALKBH2 Q6NS38 1/20 0.64
▸ PRMT5 O14744 4/20 0.60
▸ ADAMTS7 Q9UKP4 1/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ PTGDR2 Q9Y5Y4 7/20 0.52
▸ MAPK8 P45983 2/20 0.51
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL2605693 0.87 HPGDS (0.62) HPGDSALKBH2PRMT5ADAMTS7NPC1
SCHEMBL4903546 0.81 HPGDS (0.68) HPGDSALKBH2PRMT5ADAMTS7NPC1
SCHEMBL27150069 0.79 HPGDS (0.56) HPGDSALKBH2PRMT5ADAMTS7NPC1
SCHEMBL27150067 0.79 HPGDS (0.56) HPGDSALKBH2PRMT5ADAMTS7NPC1
SCHEMBL7729542 0.79 HPGDS (0.79) HPGDSALKBH2NPC1MAPTRAB9A
SCHEMBL70281 0.79 ALKBH2 (1.00) HPGDSALKBH2NPC1MAPTRAB9A
SCHEMBL13926374 0.78 HPGDS (0.62) HPGDSALKBH2PRMT5NPC1MAPT
SCHEMBL13607996 0.78 HPGDS (0.62) HPGDSALKBH2PRMT5ADAMTS7NPC1
SCHEMBL12057532 0.77 KLKB1 (0.71) HPGDSALKBH2PRMT5MAPK8SMN1; SMN2
SCHEMBL25910314 0.77 KLKB1 (0.55) HPGDSALKBH2PRMT5ADAMTS7NPC1

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-1917763-B N- (2-hydroxymethyl) phenyl-1H-pyrazole-4-carboxamide derivatives and related compounds as microbicidal active ingredients for plant protection and material protection BAYER CROPSCIENCE AG 2010-05-05 — — CN disclosed
CN-1917763-A N- (2-hydroxymethyl) phenyl-1H-pyrazole-4-carboxamide derivatives and related compounds as microbicidal active ingredients for plant protection and material protection BAYER CROPSCIENCE AG (DE) 2007-02-21 — — CN disclosed
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