SCHEMBL14127134

SCHEMBL14127134

C[CH]c1nc2c(C)cccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPT P10636 7/20 0.45
▸ PKM P14618 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL22170872 0.84 ALDH1A1 (0.56) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL7218451 0.80 SMN1; SMN2 (0.56) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL1748098 0.76 ALDH1A1 (0.66) ALDH1A1MAPTPKMGAAMEN1
Cyanide SCHEMBL22130198 0.76 ALDH1A1 (0.51) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL6116271 0.76 ALDH1A1 (0.47) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL6116280 0.76 ALDH1A1 (0.47) ALDH1A1MAPTPKMGAAMEN1
Iodide SCHEMBL1770191 0.75 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL3918916 0.75 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMEN1
Ammonia Solution, Strong SCHEMBL26679975 0.75 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL14127197 0.75 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMEN1

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
WO-2012163959-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-12-06 — — WO disclosed
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