SCHEMBL1895535

SCHEMBL1895535

O=C1N[C@@H](c2ccccc2)C(=O)N[C@H]1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK10 P53779 1/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
CA2 P00918 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL15669931 1.00 MAPT (0.48) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL1894049 1.00 MAPT (0.48) MAPTALDH1A1GAAKDM4EHPGD
Methane SCHEMBL11336749 0.95 MAPT (0.48) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL10540567 0.87 SLC6A3 (0.56) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL10541313 0.87 TNKS2 (0.46) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL8932396 0.82 STING1 (0.41) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL10042832 0.82 LMNA (0.40) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL395878 0.81 TDP1 (0.66) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL31738422 0.81 TDP1 (0.66) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL19955179 0.81 TDP1 (0.66) MAPTALDH1A1GAAKDM4EHPGD

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
WO-2011055247-A1 A SYNTHETIC CYCLIC DIPEPTIDE AND A PROCESS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2011-05-12 WO disclosed