SCHEMBL27585033

SCHEMBL27585033

CC#COc1c(-c2ccccc2)oc2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.67
▸ ALDH1A1 P00352 8/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ GAA P10253 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ KDM4E B2RXH2 9/20 0.56
▸ KCNA3 P22001 1/20 0.54
▸ CYP3A4 P08684 5/20 0.54
▸ DDR2 Q16832 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ABCB1 P08183 1/20 0.54
▸ CALM1 P0DP23 1/20 0.54
▸ AR P10275 1/20 0.54

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
SCHEMBL4634793 0.84 ABCG2 (0.68) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL253523 0.80 ABCG2 (1.00) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL29993383 0.80 ABCG2 (1.00) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL27585014 0.79 CA1 (0.52) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL18932159 0.77 ABCG2 (0.70) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL30558214 0.77 ABCG2 (0.70) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL28141905 0.77 ABCG2 (0.70) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL7458770 0.77 ABCG2 (0.70) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL1422852 0.75 ALDH1A1 (0.78) ABCG2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9531458 0.75 ALDH1A1 (0.76) ABCG2ALDH1A1KMT2AMAPTMEN1

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
CN-1371371-A Novel derivatives of flavones, xanthones and coumarins INDENA SPA (IT) 2002-09-25 — — CN disclosed
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