SCHEMBL5923948

SCHEMBL5923948

COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1N

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.81
MEN1 O00255 4/20 0.81
TAS1R3 Q7RTX0 6/20 0.78
TAS1R1 Q7RTX1 6/20 0.78
TDP1 Q9NUW8 1/20 0.78
ALDH1A1 P00352 2/20 0.64
POLB P06746 1/20 0.64
TAS1R2 Q8TE23 4/20 0.61

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
SCHEMBL5275894 1.00 KMT2A (0.81) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL5275903 1.00 KMT2A (0.81) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL5270902 0.88 TAS1R3 (0.68) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL4262215 0.88 TAS1R3 (0.68) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL704233 0.88 TAS1R3 (1.00) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL701403 0.88 TAS1R3 (1.00) KMT2AMEN1TAS1R3TAS1R1TDP1
Hydrochloric Acid SCHEMBL4261765 0.87 TAS1R3 (0.67) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL5270953 0.86 TAS1R3 (0.66) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL20662756 0.85 KMT2A (0.78) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL4262863 0.81 TAS1R3 (0.59) KMT2AMEN1TAS1R3TAS1R1TDP1

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-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed