SCHEMBL23401404

SCHEMBL23401404

CCCc1nn(C)c(O)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PDE5A O76074 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL23399077 0.89 MAPK8 (0.32)
SCHEMBL23400808 0.85 GAA (0.37)
SCHEMBL23400410 0.80 HTR2A (0.30)
SCHEMBL23401846 0.79 KDM4E (0.34) KDM4E
SCHEMBL23401617 0.76 SMN1; SMN2 (0.39) SMN1; SMN2LMNANPC1RAB9APDE5A
SCHEMBL23402737 0.75 SMN1; SMN2 (0.34) SMN1; SMN2LMNANPC1RAB9APDE5A
SCHEMBL23402936 0.74 SMN1; SMN2 (0.36) SMN1; SMN2LMNANPC1RAB9APDE5A
SCHEMBL23401719 0.73 SMN1; SMN2 (0.37) SMN1; SMN2LMNANPC1RAB9APDE5A
SCHEMBL10962761 0.73 SMN1; SMN2 (0.37) SMN1; SMN2LMNANPC1RAB9APDE5A
SCHEMBL23401978 0.73 KDM4E (0.33) SMN1; SMN2KDM4E

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