SCHEMBL9229341

SCHEMBL9229341

O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.84
BCL3 P20749 5/20 0.71
ALDH1A1 P00352 6/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 3/20 0.65
HTR1A P08908 1/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
KCNH2 Q12809 1/20 0.63
CD274 Q9NZQ7 1/20 0.63
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 1/20 0.59

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
SCHEMBL17554174 0.94 BCL3 (0.76) POLBBCL3ALDH1A1GAAHTT
SCHEMBL17554065 0.87 ALDH1A1 (0.89) POLBBCL3ALDH1A1GAAKMT2A
SCHEMBL30560552 0.87 ALDH1A1 (0.89) POLBBCL3ALDH1A1GAAKMT2A
SCHEMBL17554043 0.86 POLB (0.77) POLBBCL3ALDH1A1GAAHTT
Eprobemide SCHEMBL570896 0.85 ALDH1A1 (0.85) ALDH1A1KMT2AHTR1AMAOAMAOB
SCHEMBL16430973 0.85 POLB (0.87) POLBBCL3ALDH1A1GAAHTT
SCHEMBL29849958 0.85 POLB (0.87) POLBBCL3ALDH1A1GAAHTT
Eprobemide SCHEMBL10495496 0.84 ALDH1A1 (0.82) ALDH1A1KMT2AHTR1AMAOAMAOB
SCHEMBL17554128 0.83 BCL3 (1.00) POLBBCL3ALDH1A1GAAHTT
SCHEMBL17554020 0.83 BCL3 (0.76) POLBBCL3ALDH1A1GAAHTT

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-5397798-A Benzamide and sulfonamide hypoglycemic agents ELI LILLY AND COMPANY (US) 1995-03-14 US disclosed