SCHEMBL23486013

SCHEMBL23486013

COc1ccc(CSc2ccc3nc4ccc([N+](=O)[O-])cc4c(N)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ HTT P42858 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 7/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ GAA P10253 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL23486003 0.82 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL28070731 0.78 APP (0.60) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL10048843 0.74 ALDH1A1 (0.50) ALDH1A1HTTLMNANCOA1NCOA3
SCHEMBL31011691 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL15693650 0.71 MAPT (0.63) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL6221292 0.71 POLB (0.54) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL28114579 0.70 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL9831511 0.70 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL23485969 0.70 ACHE (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL22208968 0.69 ALDH1A1 (0.51) MEN1KMT2AALDH1A1HTTLMNA

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
US-20230040324-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2023-02-09 — — US disclosed
WO-2021110280-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-06-10 — — WO disclosed
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