SCHEMBL8550310

SCHEMBL8550310

CS/C(=C\[N+](=O)[O-])NCCC1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 7/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
NAMPT P43490 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
SCHEMBL8550316 1.00 ALDH1A1 (0.36) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8544399 0.87 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8544397 0.87 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL9050883 0.83 ALDH1A1 (0.32) ALDH1A1MAPTLMNAHTT
SCHEMBL9050890 0.83 ALDH1A1 (0.32) ALDH1A1MAPTLMNAHTT
SCHEMBL10735881 0.73 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL10735876 0.73 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL11008052 0.71 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8549159 0.70
SCHEMBL8549157 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649845-B1 Furanyl insecticide MITSUI CHEMICALS INC (JP) 1998-07-22 EP disclosed
US-5532365-A NITROGUANIDINE COMPOUNDS AS INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-02 US disclosed
US-5434181-A FOR USE IN AGRICULTURAL CHEMICALS MITSUI TOATSU CHEMICALS, INC. (JP) 1995-07-18 US disclosed
EP-0649845-A1 Furanyl insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-04-26 EP disclosed