SCHEMBL4711987

SCHEMBL4711987

CCNn1c(=O)sc2cccc(CC)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IDO1 P14902 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRB2 P07550 1/20 0.32
CYP2A6 P11509 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGLL Q99685 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC9A1 P19634 1/20 0.31

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
SCHEMBL16713402 0.76 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1KMT2AIDO1
SCHEMBL5369114 0.70 L3MBTL1 (0.44) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4711989 0.65 MEN1 (0.40) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9466815 0.65 L3MBTL1 (0.36) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10816228 0.61 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16713403 0.61 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12549725 0.61 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL198837 0.60 GABRA1 (0.55) L3MBTL1GABRA1GABRB2MGLLNPSR1
SCHEMBL11319011 0.59 TP53 (0.46) L3MBTL1SMN1; SMN2GAANPSR1KDM4E
Ethylene SCHEMBL7684069 0.59 GABRA1 (0.52) L3MBTL1ALDH1A1GABRA1GABRB2MGLL

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
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP claimed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO claimed