SCHEMBL2091085

SCHEMBL2091085

Cc1cc(C)nc(CC(N)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2555142 0.84 HTT (0.71) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL1719917 0.80 HTT (0.67) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL9461214 0.80 HTT (0.67) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL23610342 0.78 HTT (0.64) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL11878004 0.78 HTT (0.64) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL15542709 0.76 HTT (0.61) HTTPOLBALDH1A1KMT2AMAPT
SCHEMBL1923422 0.76 HTT (0.61) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL30375828 0.75 HTT (0.59) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL5772762 0.74 HTT (0.58) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL2469053 0.72 HTT (0.56) HTTPOLBALDH1A1KMT2AMEN1

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-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed