SCHEMBL31471705

SCHEMBL31471705

COc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ GSK3B P49841 1/20 0.34
▸ SLC9A1 P19634 1/20 0.34
▸ BRD4 O60885 4/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAG3 Q9UGI9 1/20 0.32
▸ PRKAG2 Q9UGJ0 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ BRD3 Q15059 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MGAM O43451 1/20 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
SCHEMBL2951395 0.84 ALOX5 (0.43) PARP1L3MBTL1GAAALOX5EPHX2
SCHEMBL9429841 0.82 MGAM (0.39) PARP1L3MBTL1MGAMGAASI
SCHEMBL28928238 0.81 STAT3 (0.31) —
SCHEMBL5576187 0.81 NOX1 (0.46) PARP1GAACDK4CCND1
SCHEMBL499071 0.79 ENPP2 (0.43) KDM4EHSD17B10
SCHEMBL31463625 0.78 ENPP2 (0.42) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL8585886 0.78 ENPP2 (0.42) KDM4EHSD17B10
Zinc Ion SCHEMBL31253325 0.78 ENPP2 (0.42) KDM4EHSD17B10
SCHEMBL11348270 0.78 ENPP2 (0.42) KDM4EHSD17B10
SCHEMBL28414549 0.78 ENPP2 (0.42) KDM4EHSD17B10

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
CN-119584879-A Gas separation device and composition containing same 张家港外星人新材料科技有限公司 2025-03-07 — — CN claimed
CN-119584879-A Gas separation device and composition containing same 张家港外星人新材料科技有限公司 2025-03-07 — — CN disclosed
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