SCHEMBL21686434

SCHEMBL21686434

O=Nc1cc(/N=N/c2cccc3cccc(S(=O)(=O)O)c23)c(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 6/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ HIF1A Q16665 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTPRA P18433 1/20 0.40
▸ PTPRB P23467 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ NSD2 O96028 3/20 0.39

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
SCHEMBL21686436 0.85 ATIC (0.44) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL21686435 0.82 NSD2 (0.56) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL24358518 0.77 MPL (0.67) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL21686790 0.75 ATIC (0.64) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL18768619 0.74 TTR (0.46) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL21686432 0.73 CYP1A2 (0.68) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL24358520 0.73 MPL (0.65) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL24358519 0.73 MPL (0.65) ATICMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL465006 0.71 CDK2 (0.53) ATICMAPK1ALDH1A1CYP1A2TSHR
SCHEMBL1742117 0.71 TTR (0.59) ATICMAPK1ALDH1A1CYP1A2TSHR

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-3362518-B1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS THE UWM RES FOUNDATION INC (US) 2022-04-27 — — EP disclosed
US-11275071-B2 Sensor dyes for real-time sensing of metal ions in aqueous environments UWM RESEARCH FOUNDATION, INC. (US) 2022-03-15 — — US disclosed
US-20200033314-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS ADVANCED CHEMICAL SYSTEMS, INC. 2020-01-30 — — US disclosed
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