SCHEMBL6834686

SCHEMBL6834686

C=Cc1ccc(Cn2c(CCO)nc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.52
▸ AGTR2 P50052 4/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PPARG P37231 4/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL6834800 0.83 TP53 (0.69) AGTR1AGTR2MEN1KMT2ALMNA
SCHEMBL13210053 0.80 MEN1 (0.46) AGTR1AGTR2MEN1KMT2ALMNA
SCHEMBL6833487 0.79 TNF (0.70) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL9740603 0.77 ALDH1A1 (0.66) AGTR1AGTR2MEN1KMT2ALMNA
SCHEMBL15081197 0.76 ALDH1A1 (0.74) LMNAALDH1A1RAB9AMAPTTP53
SCHEMBL229324 0.76 MEN1 (0.78) AGTR1AGTR2MEN1KMT2ALMNA
SCHEMBL13936987 0.75 MEN1 (0.47) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL13337768 0.74 KDM4E (0.64) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL10609312 0.74 ALDH1A1 (0.74) LMNAALDH1A1RAB9AMAPTTP53
SCHEMBL3750821 0.74 POLB (0.80) MEN1KMT2ALMNAALDH1A1MAPT

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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