SCHEMBL30979120

SCHEMBL30979120

Nc1nc2nncn2c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CDC7 O00311 1/20 0.43
▸ CYP3A4 P08684 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 4/20 0.37
▸ ACHE P22303 2/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ FGFR1 P11362 1/20 0.36

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
SCHEMBL30013724 0.84 HRH4 (0.43) HRH4HRH3CDC7CYP3A4MAPT
SCHEMBL23577365 0.84 HRH4 (0.43) HRH4HRH3CDC7CYP3A4MAPT
SCHEMBL30979012 0.81 HRH4 (0.43) HRH4HRH3CDC7MAPTALDH1A1
SCHEMBL30979090 0.78 KDM4E (0.39) HRH3MAPTACHEHTTALDH1A1
SCHEMBL29909427 0.75 KMT2A (0.49) HRH4HRH3MAPTTDP1HTT
SCHEMBL23578286 0.75 KMT2A (0.49) HRH4HRH3MAPTTDP1HTT
SCHEMBL23577151 0.75 ABCG2 (0.47) HRH4HRH3MAPTHTTALDH1A1
SCHEMBL30014094 0.75 ABCG2 (0.47) HRH4HRH3MAPTHTTALDH1A1
SCHEMBL30979125 0.75 KDM4E (0.34) MAPTALDH1A1
SCHEMBL23576661 0.74 LMNA (0.40) HRH4HRH3TSHRMAPTHTT

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
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
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