SCHEMBL10250810

SCHEMBL10250810

C=C(CO)N(C)Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.54
▸ GAA P10253 2/20 0.50
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PYCR1 P32322 1/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.47
▸ AOC3 Q16853 4/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ PNMT P11086 2/20 0.42
▸ HTR3E A5X5Y0 2/20 0.40
▸ HTR3B O95264 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ HTR3D Q70Z44 2/20 0.40
▸ HTR3C Q8WXA8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL17278345 0.84 RIPK1 (0.61) RIPK1GAATSHRRECQLPYCR1
SCHEMBL9824208 0.77 RIPK1 (0.64) RIPK1GAATSHRRECQLPYCR1
SCHEMBL14344795 0.77 RIPK1 (0.56) RIPK1GAATSHRRECQLPYCR1
SCHEMBL17887629 0.75 RIPK1 (0.58) RIPK1GAATSHRRECQLPYCR1
SCHEMBL8290710 0.75 TAAR1 (0.66) RIPK1GAATSHRRECQLPYCR1
SCHEMBL30798978 0.75 TAAR1 (0.66) RIPK1GAATSHRRECQLPYCR1
SCHEMBL11833353 0.74 GAA (0.57) RIPK1GAATSHRRECQLPYCR1
SCHEMBL29565507 0.74 RIPK1 (0.65) RIPK1GAATSHRRECQLPYCR1
SCHEMBL17887985 0.74 RIPK1 (0.54) RIPK1GAATSHRRECQLPYCR1
Hydrochloric Acid SCHEMBL8517595 0.74 PYCR1 (0.56) RIPK1GAATSHRRECQLPYCR1

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-2012010633-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2012-01-26 — — WO disclosed
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