SCHEMBL17508485

SCHEMBL17508485

Cc1cncc(Br)c1C=NO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 3/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17508483 1.00 HPGD (0.33) HPGDHSD17B10HTTALOX15GFER
SCHEMBL17524536 1.00 HPGD (0.33) HPGDHSD17B10HTTALOX15GFER
SCHEMBL24638869 0.86 HPGD (0.38) HPGDHSD17B10HTTALOX15GFER
SCHEMBL17929419 0.86 NOX1 (0.31) HTTALOX15
SCHEMBL2927453 0.78 GAA (0.32)
SCHEMBL2927456 0.78 GAA (0.32)
SCHEMBL19656322 0.74
SCHEMBL19965792 0.74 ERN1 (0.32) HPGDMEN1ALDH1A1LMNAKMT2A
SCHEMBL7895215 0.67 HPGD (0.44) HPGDHSD17B10HTTALOX15GFER
SCHEMBL7895218 0.67 HPGD (0.44) HPGDHSD17B10HTTALOX15GFER

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
WO-2016021742-A1 HETEROCYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 WO disclosed