SCHEMBL18104349

SCHEMBL18104349

COc1ccc2ccccc2c1/C=N/c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.58
▸ PTGS1 P23219 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CA2 P00918 6/20 0.52
▸ CA9 Q16790 6/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA12 O43570 4/20 0.52
▸ NTRK1 P04629 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK2 P24941 1/20 0.50

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
SCHEMBL12417067 0.87 PTGS2 (0.56) PTGS2PTGS1KDM4EHPGDMEN1
SCHEMBL12416949 0.80 CA2 (0.62) PTGS2PTGS1ALDH1A1CA2CA9
SCHEMBL12416826 0.78 CA2 (0.72) PTGS2PTGS1CA2CA9CA1
SCHEMBL2314949 0.76 KDM4E (0.73) KDM4EHPGDMEN1ALDH1A1GAA
SCHEMBL24175860 0.74 KDM4E (0.58) KDM4EHPGDMEN1ALDH1A1LMNA
SCHEMBL24175847 0.74 KDM4E (0.58) KDM4EHPGDMEN1ALDH1A1LMNA
SCHEMBL24175864 0.73 KDM4E (0.57) KDM4EHPGDMEN1ALDH1A1LMNA
SCHEMBL24175867 0.73 KDM4E (0.60) KDM4EHPGDMEN1ALDH1A1LMNA
SCHEMBL26973856 0.73 KDM4E (0.57) KDM4EHPGDMEN1ALDH1A1LMNA
SCHEMBL12787878 0.72 KDM4E (1.00) KDM4EHPGDMEN1ALDH1A1GAA

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
US-11568956-B2 Methods for identifying inhibitors of amyloid protein aggregation TREVENTIS CORPORATION (US) 2023-01-31 — — US disclosed
US-20190050526-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2019-02-14 — — US disclosed
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 — — US disclosed
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 — — US disclosed
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