SCHEMBL27808951

SCHEMBL27808951

CCN(C(=O)C(C(=O)OC)c1nnnn1C1CCCCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.45
TSHR P16473 7/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40

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
SCHEMBL3090076 0.80 ALDH1A1 (0.43) NPSR1TSHRLMNAHTTHDAC1
SCHEMBL27787149 0.78 GHSR (0.44) TSHRMAPK1LMNAHTTHDAC1
SCHEMBL3097691 0.77 ALDH1A1 (0.46) NPSR1TSHRLMNAHTTHDAC1
SCHEMBL27787115 0.72 ALDH1A1 (0.42) NPSR1TSHRMAPK1LMNAHTT
SCHEMBL27808958 0.71 ALDH1A1 (0.40) NPSR1TSHRMAPK1LMNAHTT
SCHEMBL3103210 0.69 HDAC1 (0.40) NPSR1TSHRMAPK1LMNAHTT
SCHEMBL3103202 0.69 HDAC1 (0.40) NPSR1TSHRMAPK1LMNAHTT
SCHEMBL10677120 0.69 ALDH1A1 (0.44) NPSR1TSHRLMNAHTTHDAC1
SCHEMBL27787111 0.68 ALDH1A1 (0.41) NPSR1TSHRLMNAHTTMEN1
SCHEMBL10677114 0.67 ALDH1A1 (0.46) NPSR1TSHRLMNAHTTHDAC1

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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed