SCHEMBL6414098

SCHEMBL6414098

CCOC(=O)C1=C2C=CC(=N2)C=C2C=CC(=N2)C=C2C=CC(=N2)C=C2C=CC1=N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA7 P43166 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA14 Q9ULX7 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31

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
SCHEMBL7411501 0.91 ALDH1A1 (0.35) MAPTTSHRLMNAALDH1A1ESR1
SCHEMBL7418768 0.87 TSHR (0.38) CYP1A2CYP3A4TSHRLMNAL3MBTL1
SCHEMBL6035356 0.83 CYP1A2 (0.42) FGFR1FLT1FGFR3MAPTMEN1
SCHEMBL7413745 0.71 ALDH1A1 (0.44) MAPTCYP1A2CYP3A4TSHRLMNA
SCHEMBL7415710 0.69 TSHR (0.47) CYP1A2CYP3A4TSHRLMNAL3MBTL1
SCHEMBL6421365 0.65 NPSR1 (0.38) FGFR1FGFR3MAPTNPSR1TSHR
SCHEMBL9626490 0.57 ALDH1A1 (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7047552 0.57 CYP1A2 (0.38) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL17146906 0.57 TSHR (0.59) MAPTMEN1KMT2ACYP1A2TSHR
SCHEMBL4625850 0.55 TSHR (0.61) MAPTMEN1KMT2ACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071474-B1 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2005-11-30 — — EP disclosed
US-6479477-B1 SUITABLE FOR USE IN MODULATING INTRA- AND EXTRACELLULAR PROCESSES IN WHICH SUPEROXIDE RADICALS, OR OTHER OXIDANTS SUCH AS HYDROGEN PEROXIDE OR PEROXYNITRITE, ARE A PARTICIPANT DUKE UNIVERSITY 2002-11-12 — — US disclosed
EP-1071474-A4 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2002-10-24 — — EP disclosed
EP-1071474-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2001-01-31 — — EP disclosed
WO-1999055388-A9 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2000-01-27 — — WO disclosed
WO-1999055388-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 1999-11-04 — — WO disclosed
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