SCHEMBL6474091

SCHEMBL6474091

Cn1nnnc1CCCCl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2C P28335 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
SLC9A1 P19634 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
SCHEMBL6112135 0.85 FAAH (0.33) FAAH
SCHEMBL4407247 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHTR1AHTR2CSLC9A1
SCHEMBL7304012 0.80 ALDH1A1 (0.40) ALDH1A1LMNANPSR1L3MBTL1HTR1A
SCHEMBL4407084 0.79 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2SLC9A1
SCHEMBL1107488 0.78
SCHEMBL95968 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4409273 0.78 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2SLC9A1
SCHEMBL16522416 0.76 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL96984 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10969646 0.76 ALDH1A1 (0.32) ALDH1A1

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-20050269001-A1 Ionic liquid energetic materials AMERICAN PACIFIC CORPORATION 2005-12-08 US disclosed