SCHEMBL6412247

SCHEMBL6412247

CCCOC(=O)c1c2nc(cc3ccc([nH]3)c(C(=O)OCCC)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ ADORA3 P0DMS8 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37

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
SCHEMBL6413625 0.98 STAT3 (0.38) STAT3STAT1ADORA3KDM4EHSD17B10
SCHEMBL6414909 0.93 ALDH1A1 (0.41) STAT3STAT1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6418917 0.91 GAA (0.44) STAT3STAT1KDM4EHSD17B10ALDH1A1
SCHEMBL6414089 0.89 GAA (0.42) STAT3STAT1KDM4EHSD17B10ALDH1A1
SCHEMBL6417625 0.84 ALDH1A1 (0.44) ADORA3KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6412535 0.83 ABCG2 (0.45) STAT3STAT1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6418943 0.82 STAT3 (0.41) STAT3STAT1KDM4EHSD17B10ALDH1A1
SCHEMBL6413587 0.81 ABCG2 (0.43) STAT3STAT1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16673442 0.81 STAT3 (0.44) STAT3STAT1
SCHEMBL6420196 0.80 STAT3 (0.40) STAT3STAT1KDM4EHSD17B10ALDH1A1

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 3 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
WO-1999055388-A9 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2000-01-27 — — WO disclosed
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