SCHEMBL31463625

SCHEMBL31463625

O=S(=O)(O)c1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1.[Mn+2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ADORA2B P29275 6/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GLA P06280 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL499071 0.99 ENPP2 (0.43) ENPP2HDAC6ADORA2BADORA2AMEN1
SCHEMBL28890943 0.97 ENPP2 (0.42) ENPP2HDAC6ADORA2BADORA2AMEN1
SCHEMBL28414549 0.97 ENPP2 (0.42) ENPP2HDAC6ADORA2BADORA2AMEN1
SCHEMBL11348270 0.97 ENPP2 (0.42) ENPP2HDAC6ADORA2BADORA2AMEN1
Zinc Ion SCHEMBL31253325 0.97 ENPP2 (0.42) ENPP2HDAC6ADORA2BADORA2AMEN1
Water SCHEMBL28884510 0.97 ENPP2 (0.42) ENPP2HDAC6ADORA2BADORA2AMEN1
Hydrochloric Acid SCHEMBL8585886 0.97 ENPP2 (0.42) ENPP2HDAC6ADORA2BADORA2AMEN1
Water SCHEMBL28814730 0.96 ENPP2 (0.41) ENPP2HDAC6ADORA2BADORA2AMEN1
Hydrochloric Acid SCHEMBL28680099 0.96 ENPP2 (0.41) ENPP2HDAC6ADORA2BADORA2AMEN1
Hydrochloric Acid SCHEMBL5967794 0.96 ENPP2 (0.41) ENPP2HDAC6ADORA2BADORA2AMEN1

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-119812508-A Electrolyte and preparation method thereof, zinc-iron flow battery, electricity utilization device and energy storage device 纬景储能科技有限公司 2025-04-11 — — CN claimed
CN-119812508-A Electrolyte and preparation method thereof, zinc-iron flow battery, electricity utilization device and energy storage device 纬景储能科技有限公司 2025-04-11 — — CN disclosed
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