SCHEMBL2568322

SCHEMBL2568322

CCCOc1ccc(Br)cc1C(=N)N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 3/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 2/20 0.59
KDM4E B2RXH2 2/20 0.59
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
F2 P00734 1/20 0.45
PLAU P00749 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
AR P10275 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16997481 0.84 HPGD (0.52) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL2562274 0.83 PRSS1 (0.57) F2PLAUST14PRSS1
SCHEMBL2567834 0.83 KDM4E (0.44) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL16950786 0.82 HPGD (0.56) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL5927172 0.81 HPGD (0.52) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL7961007 0.81 HTR2B (0.46) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL7962802 0.81 HTR2C (0.46) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL7371844 0.81 PTGDR2 (0.56) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL7962020 0.80 PRSS1 (0.47) SMN1; SMN2LMNARAB9AHPGDNPC1
SCHEMBL17973700 0.79 PTGDR2 (0.68) SMN1; SMN2LMNARAB9AHPGDNPC1

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 5 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
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US 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