SCHEMBL29586571

SCHEMBL29586571

CCC(C)=NNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
NSD2 O96028 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
GFER P55789 1/20 0.58
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
OGG1 O15527 1/20 0.48

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
SCHEMBL6634931 1.00 MAPT (0.61) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL1563270 1.00 MAPT (0.61) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL1563268 1.00 MAPT (0.61) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL6152784 0.89 KMT2A (0.59) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL6055295 0.89 KMT2A (0.59) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL6055291 0.89 KMT2A (0.59) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL6635696 0.85 MAPT (0.58) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL1563372 0.85 MAPT (0.58) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL1563371 0.85 MAPT (0.58) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL1563015 0.84 RAB9A (0.64) MAPTALDH1A1NPC1RAB9AKMT2A

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-2022097606-A1 RUBBER COMPOSITION FOR TIRES 横浜ゴム株式会社 2022-05-12 WO disclosed