Sugi Predict

Sugi Predict / Compounds / SCHEMBL7554897

SCHEMBL7554897

SCHEMBL7554897

COc1ccc(-c2ccc(-c3nc4ccc(C)cc4c(=O)n3Cc3cccc(CN)c3)s2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GSTM2 P28161 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL6313461 0.96 F11 (0.41) F11HSP90AA1NPSR1GSTM2ALDH1A1
SCHEMBL7549261 0.92 TSHR (0.43) GSTM2ALDH1A1TSHR
SCHEMBL6308214 0.92 F11 (0.49) F11HSP90AA1NPSR1ALDH1A1L3MBTL1
SCHEMBL6313772 0.87 F11 (0.49) F11ALDH1A1TSHR
SCHEMBL6307819 0.87 EGFR (0.42) F11ALDH1A1TSHR
SCHEMBL7551638 0.84 F11 (0.47) F11NPSR1ALDH1A1TSHR
SCHEMBL6313495 0.84 F11 (0.46) F11HSP90AA1NPSR1ALDH1A1
SCHEMBL6308119 0.83 F11 (0.52) F11HSP90AA1NPSR1ALDH1A1TSHR
SCHEMBL6307789 0.82 USP2 (0.49) F11GSTM2ALDH1A1TSHR
SCHEMBL6308091 0.81 ALDH1A1 (0.54) F11NPSR1ALDH1A1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 — — EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 — — WO disclosed