SCHEMBL27340709

SCHEMBL27340709

CCOC(=O)C(NC(=N)N)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
F7 P08709 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSA P10619 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 1/20 0.34
CDK5 Q00535 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
SCHEMBL27341996 0.90 L3MBTL1 (0.40) PKMALDH1A1MAPTHTTLMNA
SCHEMBL27339458 0.88 TACR3 (0.39) PKMALDH1A1F7RAB9AMEN1
SCHEMBL27527359 0.87 HTT (0.38) PKMALDH1A1HTTLMNAF7
SCHEMBL27342606 0.85 KMT2A (0.39) PKMALDH1A1MAPTHTTLMNA
SCHEMBL27357659 0.84 F7 (0.33) PKMALDH1A1MAPTHTTLMNA
SCHEMBL8429804 0.77 ALDH1A1 (0.51) PKMALDH1A1MAPTHTTLMNA
SCHEMBL11199782 0.76 ALDH1A1 (0.51) PKMALDH1A1MAPTHTTLMNA
SCHEMBL908619 0.74 ALDH1A1 (0.49) PKMALDH1A1MAPTHTTLMNA
SCHEMBL27584222 0.74 NUDT1 (0.36) KDM4ECTSASMN1; SMN2
SCHEMBL5719579 0.73 ALDH1A1 (0.46) PKMALDH1A1MAPTHTTLMNA

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-1042907-A Herbicidal composition ICI PLC (GB) 1990-06-13 CN disclosed