SCHEMBL9749306

SCHEMBL9749306

COc1ccc(-c2nc(C)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.62
KDM4E B2RXH2 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NOX1 Q9Y5S8 1/20 0.60
MAPT P10636 5/20 0.55
TP53 P04637 2/20 0.55
MAPK13 O15264 2/20 0.55
MAPK12 P53778 2/20 0.55
MAPK11 Q15759 2/20 0.55
MAPK14 Q16539 2/20 0.55
SMPD3 Q9NY59 1/20 0.55
PDE10A Q9Y233 1/20 0.55
RAF1 P04049 1/20 0.55
ALOX5 P09917 1/20 0.54
GCGR P47871 1/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52

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
SCHEMBL15676819 0.86 MAPT (0.56) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL3455232 0.84 NOX1 (0.77) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL15400824 0.82 NOX1 (0.85) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL8008805 0.82 NOX1 (0.85) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL6759976 0.82 TGFBR1 (0.51) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL10989656 0.81 NOX1 (0.59) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL10993607 0.81 NOX1 (0.59) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL8473597 0.81 ALDH1A1 (0.46) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL5434851 0.81 NOX1 (0.59) HPGDKDM4ESMN1; SMN2NOX1MAPT
SCHEMBL11180276 0.79 NOX1 (0.57) HPGDKDM4ESMN1; SMN2NOX1MAPT

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-0236628-B1 INHIBITION OF THE 5-LIPOXYGENASE PATHWAY SMITHKLINE BEECHAM CORPORATION (US) 1992-12-02 EP disclosed
US-4780470-A WITH 4,5-DIALKYL-2(SUBSTITUTED)IMIDAZOLE SMITHKLINE BECKMAN CORPORATION (US) 1988-10-25 US disclosed
EP-0236628-A1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-09-16 EP disclosed
US-4686231-A 4,5-DIARYL-2-SUBSTITUTED-IMIDAZOLE SMITHKLINE BECKMAN CORPORATION (US) 1987-08-11 US disclosed