SCHEMBL8928732

SCHEMBL8928732

CCc1cc2c(s1)-n1c(nnc1N(C)C(=O)c1cc3ccccc3n1CC(=O)O)CN=C2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.44
PDE4D Q08499 1/20 0.44
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCKAR P32238 1/20 0.36
PTAFR P25105 9/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8928667 0.95 OPRK1 (0.44) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928440 0.92 OPRK1 (0.55) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928668 0.91 PTAFR (0.38) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928631 0.87 MEN1 (0.39) OPRK1MEN1KMT2ACCKARPTAFR
SCHEMBL8928869 0.84 L3MBTL1 (0.36) MEN1KMT2ACCKARPTAFRCYP3A4
SCHEMBL8928748 0.84 OPRK1 (0.42) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928544 0.80 OPRK1 (0.52) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL8928672 0.79 OPRK1 (0.43) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928766 0.76 OPRK1 (0.42) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8689792 0.76 KMT2A (0.38) OPRK1PDE4DMEN1KMT2ACCKAR

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-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed