SCHEMBL8928748

SCHEMBL8928748

CCc1cc2c(s1)-n1c(nnc1CNC(=O)c1cc3ccccc3n1CC(=O)O)CN=C2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
PDE4D Q08499 1/20 0.42
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCKAR P32238 1/20 0.38
HPGD P15428 2/20 0.38
PTAFR P25105 5/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 4/20 0.33
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8928672 0.95 OPRK1 (0.43) OPRK1PDE4DRECQLSMN1; SMN2MEN1
SCHEMBL8928766 0.92 OPRK1 (0.42) OPRK1PDE4DRECQLSMN1; SMN2MEN1
SCHEMBL8928442 0.92 OPRK1 (0.54) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928678 0.91 MEN1 (0.39) OPRK1RECQLSMN1; SMN2MEN1KMT2A
SCHEMBL8928579 0.87 OPRK1 (0.43) OPRK1PDE4DRECQLSMN1; SMN2MEN1
SCHEMBL8928637 0.86 MEN1 (0.42) OPRK1RECQLSMN1; SMN2MEN1KMT2A
SCHEMBL8928805 0.85 OPRK1 (0.53) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928561 0.85 RECQL (0.38) OPRK1PDE4DRECQLSMN1; SMN2MEN1
SCHEMBL8928876 0.84 MEN1 (0.37) RECQLSMN1; SMN2MEN1KMT2ACCKAR
SCHEMBL8928402 0.84 OPRK1 (0.53) OPRK1PDE4DMEN1KMT2APTAFR

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