SCHEMBL9525926

SCHEMBL9525926

CCCCSc1c(OCC)cc(OCC)cc1-c1ccc(-c2nnn[nH]2)c(=O)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL9529353 0.82 CYP2C9 (0.34) CYP2C9MOGAT2MAPTKDM4EALDH1A1
SCHEMBL9702558 0.78 ALDH1A1 (0.41) MAPTMAPK1KDM4EALDH1A1
SCHEMBL9700651 0.77 MAPT (0.35) CYP2C9MOGAT2MAPTKDM4EALDH1A1
SCHEMBL9702587 0.76 ALDH1A1 (0.41) MAPTMAPK1KDM4EALDH1A1TSHR
SCHEMBL9526401 0.74 PTPN1 (0.36) CYP2C9MOGAT2MAPT
SCHEMBL9701582 0.74 GCGR (0.39) CYP2C9MOGAT2MAPTKDM4EALDH1A1
SCHEMBL9700772 0.73 XDH (0.35) CYP2C9MAPTMAPK1KDM4EALDH1A1
SCHEMBL9700644 0.73 PDE5A (0.38) MAPTKDM4EALDH1A1
SCHEMBL9528770 0.72 KDM4E (0.48) MAPTKDM4EALDH1A1TSHR
SCHEMBL9525805 0.72 CDC7 (0.36) CYP2C9MOGAT2MAPTKDM4E

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 4 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 claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
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