SCHEMBL23399347

SCHEMBL23399347

CC(C)Cn1nc(C(C)(C)C)c(-c2ccccc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
CNR1 P21554 1/20 0.35
DPP4 P27487 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RCE1 Q9Y256 1/20 0.32
GAA P10253 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL23402323 0.87 MEN1 (0.33) DPP4HPGDALDH1A1KDM4EMEN1
SCHEMBL23399451 0.84 KDM4E (0.40) SMN1; SMN2HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL23403417 0.81 KDM4E (0.42) CNR1SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL23401641 0.81 TRPV1 (0.39) CNR2SLC16A3SLC16A1TRPV1CNR1
SCHEMBL23401832 0.81 KDM4E (0.39) CNR2TRPV1CNR1DPP4SMN1; SMN2
SCHEMBL23402853 0.81 SMN1; SMN2 (0.41) CNR2TRPV1CNR1DPP4SMN1; SMN2
SCHEMBL23400655 0.81 GAA (0.47) CNR2TRPV1CNR1DPP4SMN1; SMN2
SCHEMBL23402416 0.79 GCGR (0.41) CNR2TRPV1CNR1DPP4SMN1; SMN2
SCHEMBL23399843 0.79 SMN1; SMN2 (0.36) SMN1; SMN2HPGDKDM4EL3MBTL1POLB
SCHEMBL23400311 0.78 DHFR (0.41) CNR2TRPV1CNR1DPP4SMN1; SMN2

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