SCHEMBL28613178

SCHEMBL28613178

Oc1ccnc2cccnc12.[AlH3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.52
METAP1 P53582 2/20 0.52
COMT P21964 2/20 0.52
TSHR P16473 2/20 0.52
MMP2 P08253 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 11/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
HSP90AA1 P07900 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
IDO1 P14902 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL28351928 1.00 METAP2 (0.52) METAP2METAP1COMTTSHRMMP2
SCHEMBL276385 0.98 METAP2 (0.54) METAP2METAP1COMTTSHRMMP2
SCHEMBL29577533 0.98 METAP2 (0.54) METAP2METAP1COMTTSHRMMP2
SCHEMBL30203848 0.96 METAP2 (0.52) METAP2METAP1COMTTSHRMMP2
Hydrochloric Acid SCHEMBL28047423 0.96 METAP2 (0.52) METAP2METAP1COMTTSHRMMP2
SCHEMBL28745782 0.96 METAP2 (0.52) METAP2METAP1COMTTSHRMMP2
SCHEMBL29683153 0.96 METAP2 (0.52) METAP2METAP1COMTTSHRMMP2
Oxyquinoline SCHEMBL5514040 0.87 TSHR (0.75) METAP2METAP1COMTTSHRMMP2
Acetic Acid SCHEMBL14638133 0.87 KDM4E (0.47) METAP2METAP1COMTTSHRMMP2
SCHEMBL27575713 0.84 ACHE (0.54) METAP2METAP1COMTTSHRMMP2

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
CN-112574398-B Synthesis method of polycaprolactone 中石化南京化工研究院有限公司 2023-01-31 CN disclosed
CN-112574398-A Synthesis method of polycaprolactone 中石化南京化工研究院有限公司 2021-03-30 CN disclosed