SCHEMBL20054518

SCHEMBL20054518

CC(C)C(NC(=O)OC(C)(C)C)c1nc2ccc(-c3ccc(-c4ccc5nc(C(NC(=O)OC(C)(C)C)C(C)C)[nH]c5c4)cc3)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 11/20 0.66
▸ KMT2A Q03164 1/20 0.45
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ MLKL Q8NB16 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ LCK P06239 1/20 0.39

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
SCHEMBL15116772 1.00 AAK1 (0.66) AAK1KMT2ASCN10AMLKLTRPV1
SCHEMBL15116751 0.88 AAK1 (0.52) AAK1KMT2ASCN10ALCK
SCHEMBL20054545 0.87 AAK1 (0.64) AAK1SCN10AMLKLTRPV1LCK
SCHEMBL15116826 0.87 AAK1 (0.64) AAK1SCN10AMLKLTRPV1LCK
SCHEMBL17494112 0.85 AAK1 (0.69) AAK1
SCHEMBL15116808 0.85 AAK1 (0.49) AAK1KMT2ASCN10ALCK
SCHEMBL20221198 0.85 AAK1 (0.49) AAK1KMT2ASCN10ALCK
SCHEMBL15116842 0.83 AAK1 (0.48) AAK1KMT2ASCN10ALCK
SCHEMBL26502047 0.82 AAK1 (0.46) AAK1KMT2ALCK
SCHEMBL15116805 0.81 AAK1 (0.47) AAK1KMT2ASCN10ALCK

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
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 — — EP disclosed
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