SCHEMBL8544397

SCHEMBL8544397

CS/C(=C\[N+](=O)[O-])NCC1CCOC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 7/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.36
NAMPT P43490 10/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8544399 1.00 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHTTNAMPT
SCHEMBL8550310 0.87 ALDH1A1 (0.36) ALDH1A1MAPTLMNAHTTNAMPT
SCHEMBL8550316 0.87 ALDH1A1 (0.36) ALDH1A1MAPTLMNAHTTNAMPT
SCHEMBL9050890 0.81 ALDH1A1 (0.32) ALDH1A1MAPTLMNAHTT
SCHEMBL9050883 0.81 ALDH1A1 (0.32) ALDH1A1MAPTLMNAHTT
SCHEMBL4511130 0.80 ALDH1A1 (0.41) ALDH1A1MAPTLMNAHTT
SCHEMBL4511136 0.80 ALDH1A1 (0.41) ALDH1A1MAPTLMNAHTT
SCHEMBL8551553 0.80 ACHE (0.37) MAPTLMNANAMPT
SCHEMBL8551550 0.80 ACHE (0.37) MAPTLMNANAMPT
SCHEMBL8545753 0.78 NAMPT (0.31) NAMPT

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