SCHEMBL6291990

SCHEMBL6291990

CC(NS(=O)(=O)c1cc[c]cc1)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
POLB P06746 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1570351 0.79 NPSR1 (0.47) GAAALDH1A1POLBNPSR1BRD4
SCHEMBL7000224 0.78 CA2 (0.51) GAAALDH1A1MMP3MMP8LMNA
SCHEMBL7050294 0.73 ADAMTS4 (0.40) ALDH1A1MMP3NPSR1SMN1; SMN2
SCHEMBL3971060 0.70 SMN1; SMN2 (0.37) ALDH1A1MMP3NPSR1SMN1; SMN2
SCHEMBL3327270 0.70 LMNA (0.42) GAAALDH1A1TP53POLBLMNA
SCHEMBL3974092 0.67 SMN1; SMN2 (0.41) ALDH1A1NPSR1SMN1; SMN2
SCHEMBL28001091 0.67 GAA (0.45) GAAALDH1A1POLBLMNAMAPT
SCHEMBL6291993 0.66 SIGMAR1 (0.68) GAATP53LMNAMAPTSMN1; SMN2
SCHEMBL28001099 0.66 SMN1; SMN2 (0.50) ALDH1A1POLBLMNAHTTSMN1; SMN2
SCHEMBL167548 0.66 SMN1; SMN2 (0.58) GAAALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855719-B1 Imidazo[1,2-A]pyridine and pyrazolo[2,3-A]pyridine derivatives ASTRAZENECA AB (SE) 2005-02-15 US disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed