SCHEMBL8112471

SCHEMBL8112471

O=[N+]([O-])/N=C1\NCCN1Cc1ccoc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.34
▸ MAPT P10636 5/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 4/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ RECQL P46063 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30

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
SCHEMBL8112473 1.00 CHRNB2 (0.50) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL7993578 0.81 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL7993571 0.81 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL7992330 0.75 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL7992326 0.75 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL7981981 0.74 CHRNB2 (0.64) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL5193562 0.74 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL8011665 0.74 CHRNB2 (0.64) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
Imidacloprid SCHEMBL22278 0.73 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2
SCHEMBL238913 0.73 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685477-B1 Insecticidal tetrahydrofuran-compound MITSUI CHEMICALS INC (JP) 2000-10-18 — — EP disclosed
EP-0685477-A1 Insecticidal tetrahydrofuran-compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-12-06 — — EP disclosed
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