SCHEMBL17483073

SCHEMBL17483073

CNCC(C)(C)CNC(=O)c1cc(CO)on1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 5/20 0.40
MAPK1 P28482 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CNR2 P34972 1/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL19483778 0.89 THRB (0.52) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL17483147 0.85 RAB9A (0.47) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL17483080 0.84 RAB9A (0.44) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL17483016 0.82 RAB9A (0.43) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL17483114 0.81 RAB9A (0.43) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL17482993 0.81 RAB9A (0.43) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL17483082 0.80 RAB9A (0.46) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL17483168 0.80 RAB9A (0.49) RAB9AHPGDSMN1; SMN2POLBTHRB
SCHEMBL19484173 0.80 RAB9A (0.38) RAB9AHPGDSMN1; SMN2NPC1HDAC6
SCHEMBL17483119 0.77 RAB9A (0.40) RAB9AHPGDSMN1; SMN2NPC1MAPK1

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
WO-2016017467-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL 住友化学株式会社 2016-02-04 WO disclosed