SCHEMBL23401256

SCHEMBL23401256

CCc1nn(CC)cc1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
COMT P21964 1/20 0.33
RECQL P46063 1/20 0.31
GAA P10253 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
SCHEMBL23399452 0.83 L3MBTL1 (0.37) ALDH1A1KDM4EL3MBTL1
SCHEMBL23403362 0.83 HTT (0.40) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL23401572 0.80 TYR (0.37) ALDH1A1
SCHEMBL23399989 0.80 ACHE (0.38) KDM4E
SCHEMBL23398979 0.80 KDM4E (0.41) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL23401619 0.80 SMN1; SMN2 (0.38) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL23402163 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPC1L3MBTL1MAPT
SCHEMBL23402625 0.76
SCHEMBL9950869 0.76
SCHEMBL7118318 0.76 L3MBTL1 (0.44) HTTSMN1; SMN2ALDH1A1KDM4ENPC1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed