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SCHEMBL8305904

SCHEMBL8305904

COc1ccc(OC)c(CNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4C)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.86
▸ ALDH1A1 P00352 2/20 0.79
▸ HTT P42858 1/20 0.79
▸ RXFP1 Q9HBX9 1/20 0.69
▸ LMNA P02545 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.66
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TP53 P04637 3/20 0.64
▸ POLB P06746 1/20 0.62
▸ BACE1 P56817 3/20 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
SCHEMBL8308124 0.93 MAPT (1.00) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8308181 0.91 MAPT (0.83) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8306993 0.87 MAPT (0.70) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8307106 0.84 MAPT (0.72) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8312524 0.83 TP53 (0.77) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8307086 0.83 MAPT (0.71) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8307104 0.83 MAPT (0.72) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8311545 0.82 MAPT (0.73) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8307061 0.82 MAPT (0.73) MAPTALDH1A1HTTRXFP1LMNA
SCHEMBL8312671 0.81 MAPT (0.68) MAPTALDH1A1HTTRXFP1LMNA

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-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 — — WO disclosed