SCHEMBL8690901

SCHEMBL8690901

O=C1NC(=O)/C(=C/c2cccc3c2ccn3Cc2ccccc2Br)S1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.59
TTR P02766 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
AKR1B1 P15121 1/20 0.51
PIM1 P11309 2/20 0.46
PIM3 Q86V86 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
IGF1R P08069 2/20 0.44
NAT1 P18440 1/20 0.44
CNR2 P34972 1/20 0.44
GSK3B P49841 1/20 0.42

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
SCHEMBL8809818 1.00 PARP1 (0.59) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8813508 0.88 PARP1 (0.59) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8690423 0.88 PARP1 (0.59) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8809827 0.88 PARP1 (0.45) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8685246 0.86 PARP1 (0.57) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8813612 0.86 PARP1 (0.57) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8687046 0.85 PARP1 (0.56) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8685487 0.85 PARP1 (0.56) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8810443 0.85 PARP1 (0.56) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8810447 0.85 PARP1 (0.56) PARP1TTRMEN1KMT2AAKR1B1

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed