SCHEMBL753605

SCHEMBL753605

CC(C)(C)OC(=O)N(c1ncc[nH]1)C1CCC1.OBO

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 7/20 0.33
JAK1 P23458 3/20 0.32
JAK2 O60674 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.30
KAT2B Q92831 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL2424191 0.74 PAX8 (0.35) JAK1SMN1; SMN2
SCHEMBL29078006 0.70 SMN1; SMN2 (0.56) MEN1KMT2AMAPTSMN1; SMN2TRPM8
SCHEMBL29017156 0.69 GPR119 (0.38) GPR119MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28885178 0.68 SMN1; SMN2 (0.41) MEN1KMT2AMAPTSMN1; SMN2TRPM8
SCHEMBL27564741 0.68 SMN1; SMN2 (0.38) USP30GPR119MEN1KMT2AMAPT
SCHEMBL27879537 0.67 KMT2A (0.50) GPR119MEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL5313021 0.67 ROCK2 (0.36) JAK1JAK2
SCHEMBL26250446 0.67 S1PR1 (0.35) GPR119MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14845093 0.66 ALDH1A1 (0.35) MAPTSMN1; SMN2TRPM8
SCHEMBL20025198 0.66 SMN1; SMN2 (0.48) MEN1KMT2AMAPTSMN1; SMN2TRPM8

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed