SCHEMBL11718519

SCHEMBL11718519

O=C(Nc1ccc(Br)cc1Cl)N1CCCC1CO

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HTT P42858 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 3/20 0.53
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL11720518 0.80 EPHX2 (0.61) L3MBTL1SMN1; SMN2HTTKDM4EMAPT
SCHEMBL21177412 0.77 MEN1 (0.53) L3MBTL1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL21177415 0.77 MEN1 (0.53) L3MBTL1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL30514831 0.77 MEN1 (0.53) L3MBTL1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL11717787 0.74 LMNA (0.51) L3MBTL1HTTKDM4EGAAMAPT
SCHEMBL11720348 0.73 ALDH1A1 (0.51) L3MBTL1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL11717344 0.72 EPHX2 (0.47) L3MBTL1MAPTKMT2AMEN1EPHX2
SCHEMBL4391929 0.72 MAPT (0.71) L3MBTL1SMN1; SMN2HTTKDM4EMAPT
SCHEMBL21177419 0.72 HPGD (0.50) L3MBTL1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL21177416 0.72 HPGD (0.50) L3MBTL1SMN1; SMN2KMT2AMEN1ALDH1A1

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
US-4065291-A Herbicidal 1-(2-hydroxymethylpyrrolidinyl) carboxanilides CHEVRON RESEARCH COMPANY (US) 1977-12-27 — — US disclosed
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