SCHEMBL16404282

SCHEMBL16404282

CCCCN(CCC(=O)c1cccnc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
PLOD2 O00469 1/20 0.48
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GRM2 Q14416 2/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
HTT P42858 1/20 0.44
S1PR1 P21453 1/20 0.43
LMNA P02545 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TBXAS1 P24557 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL6847142 0.89 GAA (0.52) GAATSHRPLOD2GRM2HDAC1
SCHEMBL13562605 0.86 GAA (0.52) GAATSHRPLOD2HDAC1HDAC8
SCHEMBL6847648 0.86 THRA (0.52) PLOD2THRATHRBL3MBTL1HDAC1
SCHEMBL13562607 0.84 THRA (0.49) TSHRPLOD2THRATHRBL3MBTL1
SCHEMBL13562685 0.81 KMT2A (0.56) GAATSHRPLOD2HDAC1HDAC8
SCHEMBL6847797 0.79 THRA (0.55) THRATHRBL3MBTL1HDAC1HDAC8
SCHEMBL13562457 0.78 GAA (0.51) GAATSHRPLOD2GRM2HDAC1
SCHEMBL13562667 0.78 GAA (0.51) GAATSHRPLOD2HDAC1HDAC8
SCHEMBL552456 0.77 HDAC1 (0.63) GAATSHRPLOD2L3MBTL1HDAC1
SCHEMBL31030252 0.77 HDAC1 (0.63) GAATSHRPLOD2L3MBTL1HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed