SCHEMBL9404013

SCHEMBL9404013

CC(=O)C(=[N+]=[N-])C(=O)CCc1ccc(S(=O)(=O)O)cc1.[KH]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ CA2 P00918 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35

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
SCHEMBL9403990 0.99 ALDH1A1 (0.44) ALDH1A1CA2CA1LMNANPSR1
Ammonia Solution, Strong SCHEMBL9403982 0.97 ALDH1A1 (0.43) ALDH1A1CA2CA1LMNANPSR1
SCHEMBL9403973 0.91 ALDH1A1 (0.42) ALDH1A1CA2CA1LMNANPSR1
SCHEMBL9404008 0.90 CA2 (0.44) ALDH1A1CA2CA1LMNANPSR1
Ammonia Solution, Strong SCHEMBL9404032 0.88 CA2 (0.42) ALDH1A1CA2CA1LMNANPSR1
SCHEMBL8749106 0.88 ALDH1A1 (0.46) ALDH1A1CA2CA1LMNANPSR1
SCHEMBL9404000 0.86 ALDH1A1 (0.47) ALDH1A1CA2CA1LMNANPSR1
SCHEMBL9404007 0.86 CA2 (0.60) ALDH1A1CA2CA1KDM4ESMN1; SMN2
Potassium Ion SCHEMBL9404012 0.86 ALDH1A1 (0.43) ALDH1A1CA2CA1LMNANPSR1
SCHEMBL9404003 0.83 ALDH1A1 (0.42) ALDH1A1CA2CA1LMNANPSR1

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-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 — — EP disclosed
US-5250669-A Thermostability, photoresists WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 — — US disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 — — EP disclosed
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