Sugi Predict

Sugi Predict / Compounds / SCHEMBL13199288

SCHEMBL13199288

SCHEMBL13199288

COC(=O)CCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCC(=O)OC)c3nc(c(-c4ccc5c6nc7nc(nc8[nH]c(nc9nc(nc([nH]6)c5c4)-c4ccccc4-9)c4ccccc84)-c4ccccc4-7)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CYCS P99999 4/20 0.34
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ TOP1 P11387 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30

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
SCHEMBL13214924 0.93 ABCG2 (0.30) ABCG2CYCS
SCHEMBL13199286 0.91 ABCG2 (0.33) ABCG2CYCS
SCHEMBL5869005 0.85 ABCG2 (0.42) ABCG2CYCSEGFRSRCTOP1
SCHEMBL5868985 0.84 ABCG2 (0.40) ABCG2CYCSEGFRSRCTOP1
SCHEMBL5868950 0.81 ABCG2 (0.36) ABCG2CYCSTOP1KDM4EPDE3B
SCHEMBL5868954 0.81 ABCG2 (0.36) ABCG2CYCSTOP1KDM4EPDE3B
SCHEMBL5574843 0.78 STAT3 (0.35) ABCG2CYCSEGFRSRCKDM4E
SCHEMBL5868982 0.74 TOP1 (0.35) ABCG2CYCSTOP1KDM4E
SCHEMBL1410167 0.71 ABCG2 (0.57) ABCG2CYCSTOP1KDM4E
SCHEMBL5868975 0.68 TSHR (0.38) —

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