SCHEMBL31314381

SCHEMBL31314381

Cc1cccc(Nc2ccc(-c3ccc(C=C(C#N)C#N)c4nsnc34)cc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.35
▸ LMNA P02545 4/20 0.35
▸ KMT2A Q03164 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL29090586 1.00 MAPT (0.35) MAPTLMNAKMT2AALDH1A1MEN1
Diphenylamine SCHEMBL14634383 0.80 TRPA1 (0.35) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL34463397 0.74 MAPT (0.48) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL14634491 0.73 MAPT (0.39) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL14634382 0.72 MAPT (0.38) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL22102776 0.71 MEN1 (0.44) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL10144181 0.70 MAPT (0.49) MAPTLMNAKMT2AALDH1A1MEN1
Diphenylamine SCHEMBL14634519 0.69 ADORA2A (0.37) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL1922114 0.66 RAPGEF4 (0.53) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL24421906 0.66 TRPA1 (0.45) MAPTLMNAKMT2AALDH1A1MEN1

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-2025007376-A1 FULLERENE SINGLE CRYSTAL THIN FILM, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江大学 2025-01-09 — — WO disclosed
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