SCHEMBL7044948

SCHEMBL7044948

COc1ccc2c(ccc[n+]2CCCS(=O)(=O)O)c1.O=S(=O)(O)CCC[n+]1c2ccccc2cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 12/20 0.50
▸ HPGD P15428 1/20 0.43
▸ BCHE P06276 8/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL146423 0.92 ACHE (0.54) ACHEHPGDBCHE
Ammonia Solution, Strong SCHEMBL30096047 0.91 ACHE (0.53) ACHEHPGDBCHE
Ammonia Solution, Strong SCHEMBL28899074 0.91 ACHE (0.53) ACHEHPGDBCHE
Water SCHEMBL436371 0.91 ACHE (0.53) ACHEHPGDBCHE
SCHEMBL17187153 0.89 ACHE (0.53) ACHEBCHE
SCHEMBL7044946 0.85 ACHE (0.44) ACHEHPGDBCHEMEN1NPC1
SCHEMBL3194487 0.81 ACHE (0.54) ACHEHPGDBCHEMEN1KMT2A
SCHEMBL455623 0.80 ATM (0.56) ACHEHPGDBCHEMEN1NPC1
SCHEMBL31015766 0.80 ATM (0.56) ACHEHPGDBCHEMEN1NPC1
SCHEMBL1922194 0.79 BCHE (0.66) ACHEBCHE

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
US-6806089-B1 QUANTITATIVE ANALYSIS; DOES NOT REQUIRE THE SENSING FLUOROPHORE TO DISPLAY A CHANGE IN LIFETIME; SELF-CALIBRATING UNIVERSITY OF MARYLAND, BALTIMORE 2004-10-19 — — US claimed
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