SCHEMBL22282399

SCHEMBL22282399

Cn1c2ccc(SN(CCOP(O)O)CCOP(O)O)cc2c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ F2RL3 Q96RI0 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ F2R P25116 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22282408 0.86 MAPT (0.47) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL22282398 0.85 CTSV (0.48) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL22282414 0.83 MEN1 (0.37) MEN1KMT2AL3MBTL1
SCHEMBL22282410 0.69 CTSV (0.54) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL29519306 0.69 MAPT (0.80) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL22282320 0.69 MAPT (0.80) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL30600488 0.68 MAPT (0.83) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL155568 0.68 MAPT (0.83) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL22282380 0.67 MAPT (0.56) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL150552 0.62 MAPT (1.00) MAPTF2RL3MEN1KMT2ALMNA

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
WO-2020151804-A1 SULFONATED 2(7)-AMINOACRIDONE AND 1-AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2020-07-30 — — WO disclosed
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