SCHEMBL880343

SCHEMBL880343

C/C=C(/C=N/Nc1nc2cc(Cl)ccc2[nH]1)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.42
▸ GAA P10253 13/20 0.42
▸ KMT2A Q03164 9/20 0.42
▸ RAB9A P51151 9/20 0.42
▸ NPC1 O15118 9/20 0.42
▸ MEN1 O00255 8/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ TDP1 Q9NUW8 5/20 0.42
▸ GFER P55789 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40

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
SCHEMBL23657817 0.72 MAPT (0.58) MAPTGAAKMT2ARAB9ANPC1
SCHEMBL880213 0.69 MAPT (0.61) MAPTGAAKMT2ARAB9ANPC1
SCHEMBL880417 0.68 MAPT (0.83) MAPTGAAKMT2ARAB9ANPC1
SCHEMBL4151151 0.68 HRH4 (0.47) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL9891793 0.67 FFAR2 (0.56) KMT2ARAB9ANPC1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL28371344 0.66 RAB9A (0.48) KMT2ARAB9ANPC1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4159988 0.66 RAB9A (0.48) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL11171719 0.66 NPC1 (0.55) MAPTKMT2ARAB9ANPC1MEN1
SCHEMBL9893032 0.65 LMNA (0.63) KMT2ARAB9ANPC1MEN1TDP1
SCHEMBL16342365 0.65 RAB9A (0.45) MAPTGAAKMT2ARAB9ANPC1

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
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 — — EP disclosed
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