SCHEMBL31464213

SCHEMBL31464213

CCN(CC)c1ccc(-c2c(N)c(N)c(-c3ccc(N(CC)CC)cc3)c3nsnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ GFER P55789 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPT P10636 9/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ HPGD P15428 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL15871081 0.84 AR (0.34) ALDH1A1L3MBTL1GFERTSHRMAPK1
SCHEMBL13454331 0.79 MAPT (0.46) ALDH1A1L3MBTL1TSHRCYP3A4TDP1
SCHEMBL17176888 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1GFERTSHRMAPK1
SCHEMBL28236394 0.75 ALDH1A1 (0.57) ALDH1A1L3MBTL1GFERTSHRMAPK1
SCHEMBL19908443 0.74 AR (0.30) —
SCHEMBL18418542 0.74 APP (0.35) ALDH1A1L3MBTL1GFERTSHRMAPK1
SCHEMBL21201903 0.73 MEN1 (0.37) ALDH1A1L3MBTL1GFERTSHRMAPK1
SCHEMBL13276007 0.71 MAPT (0.41) ALDH1A1L3MBTL1MAPK1CYP3A4TDP1
SCHEMBL18418544 0.71 APP (0.37) ALDH1A1L3MBTL1GFERTSHRMAPK1
SCHEMBL22299175 0.71 ALDH1A1 (0.36) ALDH1A1L3MBTL1GFERTSHRMAPK1

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-116102581-B Spin cross complex with aggregation-enhanced charge transfer characteristic, and preparation method and application thereof 东南大学 2025-03-21 — — CN claimed
CN-116102581-B Spin cross complex with aggregation-enhanced charge transfer characteristic, and preparation method and application thereof 东南大学 2025-03-21 — — CN disclosed
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