SCHEMBL2567575

SCHEMBL2567575

CCCOc1ccc(C(=NO)NO)cc1C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PRSS1 P07477 11/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMPD1 P17405 3/20 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
SCHEMBL2562274 0.83 PRSS1 (0.57) F2PLAUST14PRSS1
SCHEMBL2563466 0.79 PTPN11 (0.53) PRSS1HPGDMAPTHSD17B10
SCHEMBL2568322 0.76 SMN1; SMN2 (0.59) F2PLAUST14PRSS1HPGD
SCHEMBL16198787 0.75 GAA (0.53) HDAC1HDAC8HDAC6HPGDKDM4E
SCHEMBL2567834 0.75 KDM4E (0.44) F2PLAUST14PRSS1HPGD
SCHEMBL7962802 0.74 HTR2C (0.46) PRSS1HPGDKDM4ENPC1LMNA
SCHEMBL7961007 0.74 HTR2B (0.46) F2PLAUST14HDAC6PRSS1
SCHEMBL7962020 0.72 PRSS1 (0.47) PRSS1HPGDKDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL11629258 0.71 PRSS1 (0.48) PRSS1HPGDKDM4ENPC1LMNA
SCHEMBL9850680 0.70 SLC6A9 (0.41) PRSS1HPGDKDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 EP disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 EP disclosed