SCHEMBL9055289

SCHEMBL9055289

O=C1Nc2c(cc(S(=O)(=O)N3CCCC3)c3c2CCCC3)C1=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 4/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
CASP9 P55211 1/20 0.38

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
SCHEMBL9055513 0.86 CASP3 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2POLB
SCHEMBL9057244 0.84 CASP3 (0.48) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8326999 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8326997 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL9472968 0.81 POLB (0.40) POLB
SCHEMBL9055355 0.81 GRIA1 (0.31) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL9472971 0.81 POLB (0.40) POLB
SCHEMBL9056288 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL9207029 0.72 CES1 (0.40) ALDH1A1HSD17B10LMNACASP3CASP1
SCHEMBL14287061 0.72 KDM4E (0.44) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522494-B1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1996-10-02 EP claimed
US-5223527-A Isatineoxime derivatives and their use NEUROSEARCH A/S (DK) 1993-06-29 US claimed
EP-0522494-A1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-01-13 EP claimed
EP-0522494-B1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1996-10-02 EP disclosed
US-5223527-A Isatineoxime derivatives and their use NEUROSEARCH A/S (DK) 1993-06-29 US disclosed
EP-0522494-A1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-01-13 EP disclosed