SCHEMBL8810441

SCHEMBL8810441

O=C1NC(=O)C(=Cc2cccc3c2ccn3C(c2ccccc2)c2ccccc2)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
AKR1B1 P15121 1/20 0.55
NAT1 P18440 1/20 0.48
IGF1R P08069 1/20 0.48
PARP1 P09874 8/20 0.48
PIM1 P11309 3/20 0.47
PIM3 Q86V86 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
GSK3B P49841 1/20 0.45
TDP2 O95551 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
BLM P54132 1/20 0.44
PLA2G1B P04054 1/20 0.44

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
SCHEMBL8685347 1.00 TTR (0.55) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8690488 0.89 TTR (0.53) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8811252 0.89 TTR (0.53) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8810616 0.87 PARP1 (0.58) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8810612 0.87 PARP1 (0.58) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8810448 0.86 MEN1 (0.38) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8686570 0.81 PARP1 (0.52) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8686566 0.81 PARP1 (0.52) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8685562 0.78 MEN1 (0.59) TTRMEN1KMT2AAKR1B1NAT1
SCHEMBL8685558 0.78 MEN1 (0.59) TTRMEN1KMT2AAKR1B1NAT1

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-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed