SCHEMBL9529353

SCHEMBL9529353

CCOc1cc(OCC)c(Br)c(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.34
PDE5A O76074 3/20 0.32
MAPT P10636 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GHSR Q92847 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GUSB P08236 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TYMS P04818 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL9700651 0.82 MAPT (0.35) CYP2C9MOGAT2MAPTESR2HSD17B10
SCHEMBL9525926 0.82 CYP2C9 (0.31) CYP2C9MOGAT2MAPTALDH1A1KDM4E
SCHEMBL9528770 0.78 KDM4E (0.48) MAPTESR2HSD17B10ALDH1A1KDM4E
SCHEMBL9701582 0.77 GCGR (0.39) CYP2C9MOGAT2PDE5AMAPTHSD17B10
SCHEMBL9701708 0.76 PDE3B (0.33) CYP2C9MOGAT2MAPTESR2HSD17B10
SCHEMBL9700644 0.76 PDE5A (0.38) PDE5AMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL9525805 0.75 CDC7 (0.36) CYP2C9MOGAT2MAPTKDM4E
SCHEMBL9525834 0.75 KDM4E (0.44) PDE5AMAPTESR2HSD17B10ALDH1A1
SCHEMBL9700689 0.74 RAB9A (0.33) MOGAT2PDE5AMAPTHSD17B10ALDH1A1
SCHEMBL9526401 0.73 PTPN1 (0.36) CYP2C9MOGAT2MAPTHSD17B10GHSR

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed