SCHEMBL30979023

SCHEMBL30979023

Cc1cccc2sc(Nc3nc4nncn4c4cc([N+](=O)[O-])ccc34)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MCL1 Q07820 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL30979012 0.77 HRH4 (0.43) MAPTALDH1A1POLBLMNAKDM4E
SCHEMBL30013724 0.69 HRH4 (0.43) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL30979120 0.69 HRH4 (0.46) MAPTALDH1A1CYP3A4HRH4HRH3
SCHEMBL23577365 0.69 HRH4 (0.43) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL23577581 0.68 MMP13 (0.39) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL29909572 0.68 MMP13 (0.39) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL23601765 0.67 ABCG2 (0.44) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL24721496 0.66 ABCG2 (0.43) MAPTKMT2AMEN1CYP2D6CYP2C19
SCHEMBL23577151 0.66 ABCG2 (0.47) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL30014094 0.66 ABCG2 (0.47) MAPTKMT2AALDH1A1MEN1LMNA

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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