SCHEMBL29859752

SCHEMBL29859752

CC(C)c1ccc(C=NNc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.72
SMN1; SMN2 Q16637 14/20 0.72
ALDH1A1 P00352 5/20 0.72
MITF O75030 4/20 0.72
HPGD P15428 1/20 0.72
NPC1 O15118 19/20 0.70
RAB9A P51151 19/20 0.70
GAA P10253 12/20 0.70
KMT2A Q03164 10/20 0.70
MEN1 O00255 9/20 0.70
NFKB1 P19838 7/20 0.70
NFKB2 Q00653 7/20 0.70
RELA Q04206 7/20 0.70
KDM4E B2RXH2 2/20 0.70
POLB P06746 7/20 0.70
TDP1 Q9NUW8 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
MCL1 Q07820 2/20 0.70
KLF5 Q13887 1/20 0.70
NSD2 O96028 1/20 0.70

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
SCHEMBL26915293 1.00 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1MITFHPGD
SCHEMBL26935144 1.00 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1MITFHPGD
SCHEMBL26915313 0.84 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1MITFHPGD
SCHEMBL26935005 0.84 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1MITFHPGD
SCHEMBL12235860 0.83 NPC1 (0.78) MAPTSMN1; SMN2ALDH1A1MITFHPGD
SCHEMBL13187328 0.83 RAB9A (0.76) MAPTSMN1; SMN2ALDH1A1MITFHPGD
SCHEMBL12258440 0.83 NPC1 (0.76) MAPTSMN1; SMN2ALDH1A1MITFNPC1
SCHEMBL12581545 0.82 NPC1 (0.75) MAPTSMN1; SMN2ALDH1A1MITFHPGD
SCHEMBL12258490 0.82 NOX1 (0.73) MAPTSMN1; SMN2ALDH1A1MITFNPC1
SCHEMBL12258152 0.82 NPC1 (1.00) MAPTSMN1; SMN2ALDH1A1MITFNPC1

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
CN-117042759-A IL-31 production inhibitor and pharmaceutical composition containing the same 国立大学法人九州大学 2023-11-10 CN disclosed
WO-2022168962-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 国立大学法人九州大学 2022-08-11 WO disclosed