SCHEMBL21686790

SCHEMBL21686790

O=S(=O)(O)c1cccc2cccc(/N=N/c3ccc(O)c4cccc(O)c34)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.64
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NSD2 O96028 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ IDE P14735 1/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ CCR6 P51684 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MAPK1 P28482 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 5/20 0.47
▸ CTRB1 P17538 1/20 0.46
▸ HIF1A Q16665 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ PTPRA P18433 1/20 0.45
▸ PTPRB P23467 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL21686432 0.81 CYP1A2 (0.68) ATICMEN1KMT2AMAPK1ALDH1A1
SCHEMBL21686435 0.79 NSD2 (0.56) ATICMEN1KMT2ANSD2POLB
SCHEMBL10361623 0.78 AURKB (0.62) ATICMEN1KMT2ANSD2POLB
SCHEMBL26459353 0.78 ATIC (1.00) ATICMEN1KMT2ANSD2POLB
SCHEMBL465006 0.78 CDK2 (0.53) ATICMEN1KMT2AMAPK1ALDH1A1
SCHEMBL24187557 0.78 ATIC (0.81) ATICMEN1KMT2APOLBMAPK1
SCHEMBL24358518 0.77 MPL (0.67) ATICNSD2MAPK1ALDH1A1CYP1A2
SCHEMBL27207567 0.77 MAPK1 (0.72) ATICMEN1KMT2ANSD2POLB
SCHEMBL28065859 0.77 ATIC (0.57) ATICMEN1KMT2ANSD2POLB
SCHEMBL10354361 0.77 CDK2 (0.51) ATICMEN1KMT2AMAPK1ALDH1A1

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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