SCHEMBL29456740

SCHEMBL29456740

O=S(=O)(O)c1nc2ccccc2cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ GAA P10253 2/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ MGAM O43451 2/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR3A P46098 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
SCHEMBL29424116 0.80 KDM4E (0.52) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL5439062 0.80 ALDH1A1 (0.46) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL366220 0.80 KDM4E (0.52) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL6734016 0.79 ALDH1A1 (0.50) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL7351609 0.78 ALDH1A1 (0.39) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL27825821 0.76 L3MBTL1 (0.48) ALDH1A1HPGDMAPTL3MBTL1NPC1
SCHEMBL4457662 0.76 ALDH1A1 (0.41) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL10831095 0.74 ALDH1A1 (0.71) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL11600717 0.74 ALDH1A1 (0.71) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL9395328 0.73 RAB9A (0.49) ALDH1A1HPGDGLAMAPTACHE

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-11377741-B2 Method for producing a heat exchanger MAHLE INTERNATIONAL GMBH 2022-07-05 — — US claimed
US-20220112606-A1 METHOD FOR PASSIVATING AN ALUMINUM SURFACE PROVIDED WITH A FLUX MAHLE INTERNATIONAL GMBH (DE) 2022-04-14 — — US claimed
US-11377741-B2 Method for producing a heat exchanger MAHLE INTERNATIONAL GMBH 2022-07-05 — — US disclosed
US-20220112606-A1 METHOD FOR PASSIVATING AN ALUMINUM SURFACE PROVIDED WITH A FLUX MAHLE INTERNATIONAL GMBH (DE) 2022-04-14 — — US disclosed
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