SCHEMBL9570911

SCHEMBL9570911

O=C1NC(=O)C(=Cc2ccccc2OCC=CCOc2ccccc2C=C2SC(=O)NC2=O)S1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.72
MEN1 O00255 6/20 0.72
ALDH1A1 P00352 4/20 0.72
POLB P06746 3/20 0.72
PLA2G1B P04054 2/20 0.72
HTT P42858 2/20 0.72
ATG4B Q9Y4P1 2/20 0.72
KDM4E B2RXH2 2/20 0.72
TTR P02766 2/20 0.72
BLM P54132 1/20 0.72
IGF1R P08069 3/20 0.66
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GSK3B P49841 1/20 0.60
HPGD P15428 6/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 1/20 0.58
KCNH2 Q12809 1/20 0.57
GSK3A P49840 1/20 0.57
NAT1 P18440 1/20 0.57

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
SCHEMBL9570599 0.87 MEN1 (0.74) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL9570595 0.87 MEN1 (0.74) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL2420684 0.85 MEN1 (0.70) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL2420687 0.85 MEN1 (0.70) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL2420688 0.85 MEN1 (0.70) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL1247460 0.84 MEN1 (1.00) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL12155710 0.84 MEN1 (1.00) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL1247458 0.84 MEN1 (1.00) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL13846503 0.83 IGF1R (0.69) KMT2AMEN1ALDH1A1POLBPLA2G1B
SCHEMBL18102906 0.83 MEN1 (0.75) KMT2AMEN1ALDH1A1POLBPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed