SCHEMBL28095699

SCHEMBL28095699

N[C@@H](CN(C(=O)O)c1ccc2ccccc2n1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
MGAM O43451 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PRNP P04156 3/20 0.40
RXFP1 Q9HBX9 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK10 P53779 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL28095700 1.00 NCF1 (0.41) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL28095708 0.88 NCF1 (0.41) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL28095710 0.88 NCF1 (0.41) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL4244397 0.74 ELANE (0.48) NCF1MGAMALDH1A1GAAPRNP
SCHEMBL27872440 0.74 KMT2A (0.50) ALDH1A1GAAMAPTKDM4ENPSR1
SCHEMBL839033 0.72 CYP1A2 (0.53) MGAMALDH1A1GAAMAPTALPI
SCHEMBL502039 0.72 CYP1A2 (0.53) MGAMALDH1A1GAAMAPTALPI
SCHEMBL29430134 0.72 CYP1A2 (0.53) MGAMALDH1A1GAAMAPTALPI
SCHEMBL502040 0.72 CYP1A2 (0.53) MGAMALDH1A1GAAMAPTALPI
SCHEMBL27888935 0.70 KDM4E (0.35) KDM4EALPIPKMPTGS1XIAP

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-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed