SCHEMBL8631317

SCHEMBL8631317

COCC(O)CN(C)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
AOC3 Q16853 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC2A1 P11166 1/20 0.42
CDK4 P11802 2/20 0.41
RPS6KA2 Q15349 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPC1 O15118 1/20 0.39
CDK2 P24941 1/20 0.38

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
SCHEMBL19158147 0.83 MAPT (0.49) POLBAOC3MEN1KMT2A
SCHEMBL23160468 0.81 AOC3 (0.49) AOC3MEN1KMT2ASLC2A1RPS6KA2
SCHEMBL2895679 0.80 CHRM5 (0.39) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL13930466 0.79 SLC2A1 (0.47) AOC3SLC2A1RPS6KA2CA1CA2
SCHEMBL8629892 0.77 KDM4E (0.44) POLBAOC3MEN1KMT2ASMN1; SMN2
SCHEMBL16076001 0.77 AOC3 (0.49) AOC3MEN1KMT2ASLC2A1RPS6KA2
SCHEMBL12637623 0.75 TSHR (0.53) POLBMEN1KMT2ACDK4SMN1; SMN2
SCHEMBL8633500 0.75 CNR2 (0.47) POLBMEN1KMT2ANPC1
SCHEMBL11422003 0.73 MAPT (0.44) AOC3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL6868406 0.73 RPS6KA2 (0.45) AOC3SLC2A1RPS6KA2CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed