SCHEMBL28848508

SCHEMBL28848508

O=S(=O)(Cl)c1nc2ncncc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
NPY5R Q15761 1/20 0.32
ENPP1 P22413 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL329703 0.84 METAP2 (0.43) METAP2METAP1NPY5RENPP1
SCHEMBL8354989 0.83 METAP2 (0.42) METAP2METAP1NPY5RENPP1
SCHEMBL4421417 0.83 METAP2 (0.42) METAP2METAP1NPY5RENPP1PTGDR2
Hydrochloric Acid SCHEMBL28848510 0.81 L3MBTL1 (0.44) METAP2METAP1NPY5RENPP1PTGDR2
SCHEMBL2556284 0.75 METAP2 (0.37) METAP2METAP1NPY5RENPP1
SCHEMBL277595 0.72 METAP2 (0.47) METAP2METAP1NPY5RENPP1PTGDR2
SCHEMBL357003 0.72 METAP2 (0.47) METAP2METAP1NPY5RENPP1PTGDR2
SCHEMBL2202798 0.71 METAP2 (0.44) METAP2METAP1NPY5RENPP1
Hydrochloric Acid SCHEMBL4982877 0.71 METAP2 (0.46) METAP2METAP1NPY5RENPP1PTGDR2
SCHEMBL5349501 0.70 METAP2 (0.43) METAP2METAP1NPY5RENPP1PTGDR2

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-107082782-A Substituted xanthine and its application method 海德拉生物科学有限公司 2017-08-22 CN disclosed
CN-105143229-B Substituted xanthines and methods of use thereof 海德拉生物科学有限公司 2017-06-30 CN disclosed