SCHEMBL16199057

SCHEMBL16199057

Cn1nc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)cnc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GSK3B P49841 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ EGFR P00533 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
SCHEMBL9977811 0.83 LPL (0.33) GSK3B
SCHEMBL9940899 0.77 KDM4E (0.32) HPGDHTTHSD17B10EGFR
SCHEMBL16152935 0.75 HPGD (0.35) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL14788359 0.71 SPR (0.46) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL14883750 0.70 SPR (0.39) GSK3BEGFR
SCHEMBL20689258 0.70 TYK2 (0.33) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL3198883 0.70 IDO1 (0.33) EGFR
SCHEMBL30895241 0.69 GSK3B (0.37) GSK3BEGFR
SCHEMBL16199065 0.69 HPGD (0.46) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL30731155 0.69 HSD17B10 (0.42) HPGDHTTHSD17B10MEN1LMNA

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-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 — — US disclosed
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