SCHEMBL29549208

SCHEMBL29549208

Brc1cccc(C2CC(c3ncc4ccccc4n3)CCN2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.34
▸ EPAS1 Q99814 10/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KAT2B Q92831 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
SCHEMBL28300941 1.00 BIRC5 (0.34) BIRC5EPAS1POLBLMNAPKM
SCHEMBL28301052 0.76 GSK3B (0.37) EPAS1POLBLMNAPKMNPSR1
SCHEMBL4963862 0.71 MEN1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL30031043 0.71 MEN1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL30200310 0.69 HTR3A (0.41) ALDH1A1
SCHEMBL15819435 0.69 HTR3A (0.41) ALDH1A1
SCHEMBL28848937 0.69 KDM1A (0.48) EPAS1POLBLMNAPKMNPSR1
SCHEMBL27580633 0.66 PDE5A (0.42) POLBALDH1A1
SCHEMBL6233506 0.65 BMPR1B (0.36) ALDH1A1
SCHEMBL7574609 0.65 PDE5A (0.48) POLBL3MBTL1

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-110016057-B Sulfur-bridged quinazoline tetradentate platinum complex phosphorescent material and preparation method thereof 南京邮电大学 2022-03-29 — — CN claimed
CN-110016057-B Sulfur-bridged quinazoline tetradentate platinum complex phosphorescent material and preparation method thereof 南京邮电大学 2022-03-29 — — CN disclosed
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