SCHEMBL14747684

SCHEMBL14747684

CC(C)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.74
▸ MEN1 O00255 1/20 0.74
▸ MAPK1 P28482 2/20 0.67
▸ RXFP1 Q9HBX9 5/20 0.65
▸ TP53 P04637 2/20 0.65
▸ ADORA2B P29275 1/20 0.64
▸ TRPA1 O75762 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ LMNA P02545 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ THRB P10828 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60

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
SCHEMBL5462777 0.87 RXFP1 (0.78) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL12260308 0.86 KMT2A (0.68) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL10113885 0.86 KMT2A (0.71) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL18166591 0.86 MAPK1 (0.74) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL18166761 0.85 MAPK1 (0.74) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL17744968 0.85 RXFP1 (0.75) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL18166600 0.83 MAPK1 (0.71) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL15375895 0.83 KMT2A (0.74) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL10114347 0.83 KMT2A (0.82) KMT2AMEN1MAPK1RXFP1TP53
SCHEMBL12260301 0.82 RXFP1 (0.71) KMT2AMEN1MAPK1RXFP1TP53

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-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 — — US disclosed
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