SCHEMBL6834800

SCHEMBL6834800

Cc1ccc(Cn2c(CCO)nc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ HTT P42858 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ LMNA P02545 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ AGTR1 P30556 2/20 0.62
▸ AGTR2 P50052 2/20 0.62
▸ PPARG P37231 4/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ RAB9A P51151 1/20 0.56

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
SCHEMBL13508302 0.89 SMN1; SMN2 (0.72) TP53MAPTMEN1HTTKMT2A
SCHEMBL8366932 0.84 RAB9A (0.76) TP53MAPTMEN1HTTKMT2A
SCHEMBL6834686 0.83 AGTR1 (0.52) TP53MAPTMEN1HTTKMT2A
SCHEMBL16556586 0.81 MEN1 (0.63) TP53MAPTMEN1HTTKMT2A
SCHEMBL9740603 0.80 ALDH1A1 (0.66) MEN1KMT2ALMNAAGTR1AGTR2
SCHEMBL9598289 0.79 PKM (0.68) MAPTMEN1HTTKMT2ALMNA
SCHEMBL6833621 0.79 TNF (0.81) TP53MAPTMEN1HTTKMT2A
SCHEMBL16556627 0.79 MEN1 (0.60) TP53MAPTMEN1HTTKMT2A
SCHEMBL229324 0.79 MEN1 (0.78) TP53MAPTMEN1HTTKMT2A
SCHEMBL13144806 0.78 CYP1A2 (0.80) MAPTMEN1KMT2ALMNAALDH1A1

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-6749977-B1 PROVIDE GOOD DYE-FORMING ACTIVITY AND WHICH, AT THE SAME TIME, YIELD LITTLE OR NO INCREASED FOG AND/ OR PROVIDE LITTLE OR NO DECREASE IN DMAX AFTER STORAGE EASTMAN KODAK COMPANY 2004-06-15 — — US disclosed
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