SCHEMBL22206775

SCHEMBL22206775

OCCc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.39
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34
▸ CA2 P00918 1/20 0.32
▸ PYGL P06737 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL28973038 0.90 STAT3 (0.33) STAT3STAT1
SCHEMBL31145683 0.89 RIPK1 (0.36) RIPK1STAT3STAT1PRKAB2PRKAG1
SCHEMBL28759859 0.85 STAT3 (0.35) STAT3STAT1
SCHEMBL26100678 0.85 STAT3 (0.35) STAT3STAT1
SCHEMBL28973037 0.85 NPBWR1 (0.36) STAT3STAT1
SCHEMBL27842422 0.85 NPBWR1 (0.37) STAT3STAT1
SCHEMBL27859882 0.84 NPBWR1 (0.36) STAT3STAT1
SCHEMBL28599190 0.83 ABCC4 (0.39) STAT3STAT1
SCHEMBL3352970 0.83 STAT3 (0.38) STAT3STAT1
SCHEMBL29960178 0.83 STAT3 (0.38) STAT3STAT1

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
US-11149104-B2 Preparation method of temperature/pH-responsive polycarboxylic acid BEIJING UNIVERSITY OF TECHNOLOGY (CN) 2021-10-19 — — US disclosed
US-20200223970-A1 PREPARATION METHOD OF TEMPERATURE/PH-RESPONSIVE POLYCARBOXYLIC ACID BEIJING UNIVERSITY OF TECHNOLOGY (CN) 2020-07-16 — — US disclosed
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