SCHEMBL9404036

SCHEMBL9404036

CC(=O)C(=[N+]=[N-])C(=O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
KEAP1 Q14145 1/20 0.50
PLAAT5 Q96KN8 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
FFAR1 O14842 1/20 0.47
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43

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
SCHEMBL8749106 0.93 ALDH1A1 (0.46) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1
SCHEMBL8748832 0.91 KEAP1 (0.55) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1
SCHEMBL26657 0.88 PLAAT5 (0.53) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1
SCHEMBL9404090 0.87 MAPT (0.56) ALDH1A1PLAAT5PLAAT4HDAC2HDAC8
SCHEMBL9403997 0.87 MAPT (0.56) ALDH1A1PLAAT5PLAAT4HDAC2HDAC8
SCHEMBL9404039 0.87 MAPT (0.56) ALDH1A1PLAAT5PLAAT4HDAC2HDAC8
SCHEMBL9404044 0.87 ALDH1A1 (0.49) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1
SCHEMBL9403990 0.83 ALDH1A1 (0.44) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL8749059 0.82 CES1 (0.57) ALDH1A1HDAC8HDAC6KMT2AMAPK1
Potassium Ion SCHEMBL9404012 0.82 ALDH1A1 (0.43) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2

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
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
EP-0319325-A2 Photosensitive material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-07 EP disclosed