SCHEMBL571172

SCHEMBL571172

CCC(CSc1ccccc1)NN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PLA2G10 O15496 1/20 0.36
BCL2L1 Q07817 1/20 0.35
SLC6A4 P31645 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL12610426 0.71 MAOA (0.57) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL19014774 0.70 MAOA (0.47) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL19014864 0.70 MAOA (0.47) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL13503887 0.70 BCL2L1 (0.48) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL24088816 0.70 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL5314709 0.70 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL13074353 0.70 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL6470751 0.69 ALDH1A1 (0.40) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL19014869 0.69 MAOA (0.39) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL14409753 0.69 HTR2A (0.45) MAOAMAOBMTNR1AMTNR1BPLA2G10

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-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed