SCHEMBL19840905

SCHEMBL19840905

C=CCC(CC)CCNCc1cnc(-c2cccs2)nc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ FYN P06241 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
SCHEMBL19840889 0.87 CYP11B1 (0.39) HPGDS
SCHEMBL19840888 0.83 LTA4H (0.40) HDAC8
SCHEMBL19840778 0.82 HDAC1 (0.36) HPGDS
SCHEMBL19840881 0.82 NTRK3 (0.33) —
SCHEMBL19841145 0.81 PDE10A (0.38) —
SCHEMBL19840940 0.81 KDM4E (0.34) —
SCHEMBL19840884 0.80 HDAC8 (0.47) HDAC8
SCHEMBL19840811 0.79 HPGDS (0.38) HPGDS
SCHEMBL19840900 0.79 DPP4 (0.42) HDAC8
SCHEMBL19840925 0.78 KDM4E (0.42) —

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-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 — — US disclosed
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