SCHEMBL8809703

SCHEMBL8809703

O=C1NC(=O)C(=Cc2cccc3c2ccn3Cc2ccccn2)S1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.53
MTOR P42345 1/20 0.53
PARP1 P09874 9/20 0.51
TTR P02766 2/20 0.50
MEN1 O00255 1/20 0.50
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 1/20 0.50
CISD1 Q9NZ45 1/20 0.47
NAT1 P18440 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
SCHEMBL8809700 1.00 HPGD (0.53) HPGDMTORPARP1TTRMEN1
SCHEMBL8690456 0.88 PARP1 (0.66) HPGDMTORPARP1TTRMEN1
SCHEMBL8808787 0.88 PARP1 (0.66) HPGDMTORPARP1TTRMEN1
SCHEMBL8685962 0.84 PARP1 (0.66) HPGDPARP1TTRMEN1AKR1B1
SCHEMBL8685959 0.84 PARP1 (0.66) HPGDPARP1TTRMEN1AKR1B1
SCHEMBL8813387 0.83 PARP1 (0.58) HPGDMTORPARP1TTRMEN1
SCHEMBL8813380 0.83 PARP1 (0.58) HPGDMTORPARP1TTRMEN1
SCHEMBL8688052 0.83 TTR (0.53) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8811211 0.81 PARP1 (0.51) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8685422 0.81 PARP1 (0.51) PARP1TTRMEN1AKR1B1KMT2A

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