SCHEMBL9056705

SCHEMBL9056705

CCCCN(CCCC)S(=O)(=O)c1cc2c(c3c1CCCC3)NC(=O)C2=NO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL9056288 0.90 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1MAPTMAPK1
SCHEMBL9055001 0.88 SMN1; SMN2 (0.38) SMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL9055355 0.84 GRIA1 (0.31) SMN1; SMN2ALDH1A1MAPTMAPK1NPSR1
SCHEMBL9472971 0.78 POLB (0.40) POLBCA1CA2CA4CA7
SCHEMBL9472968 0.78 POLB (0.40) POLBCA1CA2CA4CA7
SCHEMBL9056485 0.76 TSHR (0.38) SMN1; SMN2KDM4EALDH1A1MAPTHTT
SCHEMBL9055289 0.75 ALDH1A1 (0.42) SMN1; SMN2POLBKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL8326429 0.70 GRIA1 (0.36) POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL8326431 0.70 GRIA1 (0.36) POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL8327819 0.69 GRIA1 (0.40)

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-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