SCHEMBL11248980

SCHEMBL11248980

CN(CCCN)C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.63
F2 P00734 1/20 0.51
HDAC6 Q9UBN7 6/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MLYCD O95822 1/20 0.47
HDAC1 Q13547 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL1003843 0.89 ADRA2C (0.53) ADRA2CF2HDAC6CDK4CCND1
SCHEMBL11210960 0.87 HDAC6 (0.59) HDAC6CDK4CCND1KMT2AMEN1
SCHEMBL8641718 0.87 HDAC6 (0.59) HDAC6CDK4CCND1KMT2AMEN1
SCHEMBL11210779 0.85 KMT2A (0.56) HDAC6CDK4CCND1KMT2AMEN1
SCHEMBL23417264 0.84 CDK4 (0.47) ADRA2CHDAC6CDK4CCND1HDAC1
SCHEMBL4505325 0.84 HDAC6 (0.50) HDAC6CDK4CCND1KMT2AMEN1
SCHEMBL1002785 0.84 NAMPT (0.56) HDAC6CDK4CCND1KMT2AMEN1
SCHEMBL11335716 0.82 HDAC6 (0.52) HDAC6CDK4CCND1KMT2AMEN1
SCHEMBL6013406 0.82 HDAC6 (0.55) HDAC6CDK4CCND1KMT2AMEN1
SCHEMBL9873675 0.81 MLYCD (0.53) ADRA2CHDAC6CDK4CCND1KMT2A

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-4341893-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1982-07-27 US disclosed