SCHEMBL9404113

SCHEMBL9404113

[N-]=[N+]=C(C(=O)CCCc1ccc(S(=O)(=O)O)cc1)C(=O)CCCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.39
CA1 P00915 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PLAAT3 P53816 2/20 0.36

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
SCHEMBL9403976 0.91 CA2 (0.38) CA2CA1ALDH1A1LMNASMN1; SMN2
SCHEMBL9404008 0.90 CA2 (0.44) CA2CA1ALDH1A1LMNAPLAAT3
Ammonia Solution, Strong SCHEMBL9404032 0.89 CA2 (0.42) CA2CA1ALDH1A1LMNAPLAAT3
SCHEMBL9404018 0.86 ALDH1A1 (0.39) CA2CA1ALDH1A1HDAC1HDAC8
SCHEMBL9403988 0.82 ALOX5 (0.38) CA2CA1ALDH1A1LMNASMN1; SMN2
SCHEMBL9403990 0.82 ALDH1A1 (0.44) CA2CA1ALDH1A1LMNASMN1; SMN2
SCHEMBL9404003 0.81 ALDH1A1 (0.42) CA2CA1ALDH1A1LMNAPLAAT3
Ammonia Solution, Strong SCHEMBL9403982 0.81 ALDH1A1 (0.43) CA2CA1ALDH1A1LMNASMN1; SMN2
SCHEMBL9404013 0.81 ALDH1A1 (0.43) CA2CA1ALDH1A1LMNASMN1; SMN2
SCHEMBL9404020 0.80 HDAC1 (0.58) ALDH1A1HDAC1HDAC8HDAC3HDAC4

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