SCHEMBL13199286

SCHEMBL13199286

COC(=O)CCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCC(=O)OC)c3nc(c(-c4ccc5c6nc7nc(nc8[nH]c(nc9nc(nc([nH]6)c5c4)-c4ccc(C(C)(C)C)cc4-9)c4cc(C(C)(C)C)ccc84)-c4cc(C(C)(C)C)ccc4-7)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CYCS P99999 1/20 0.31

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
SCHEMBL13199288 0.91 ABCG2 (0.35) ABCG2CYCS
SCHEMBL13214924 0.84 ABCG2 (0.30) ABCG2CYCS
SCHEMBL5868985 0.80 ABCG2 (0.40) ABCG2CYCS
SCHEMBL5869005 0.78 ABCG2 (0.42) ABCG2CYCS
SCHEMBL5868950 0.76 ABCG2 (0.36) ABCG2CYCS
SCHEMBL5868954 0.76 ABCG2 (0.36) ABCG2CYCS
SCHEMBL5574843 0.75 STAT3 (0.35) ABCG2CYCS
SCHEMBL1410167 0.69 ABCG2 (0.57) ABCG2CYCS
SCHEMBL5868982 0.69 TOP1 (0.35) ABCG2CYCS
SCHEMBL1392382 0.66 MEN1 (0.51) ABCG2

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-7767808-B2 for photoelectric conversion elements National University Corporation NARA Institute of Science and Technology (JP) 2010-08-03 — — US disclosed
Send feedback