SCHEMBL8928579

SCHEMBL8928579

CCOC(=O)Cn1c(C(=O)NCc2nnc3n2-c2sc(CC)cc2C(c2ccc(Cl)cc2)=NC3)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.43
PDE4D Q08499 1/20 0.43
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
PTAFR P25105 5/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
F10 P00742 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.35
GSR P00390 1/20 0.33
ENPP2 Q13822 1/20 0.33
F2 P00734 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
SCHEMBL8928766 0.95 OPRK1 (0.42) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928402 0.92 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928672 0.92 OPRK1 (0.43) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928561 0.88 RECQL (0.38) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928748 0.87 OPRK1 (0.42) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928710 0.84 RECQL (0.38) OPRK1RECQLSMN1; SMN2HPGDMEN1
SCHEMBL8928442 0.84 OPRK1 (0.54) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928429 0.82 MEN1 (0.35) RECQLSMN1; SMN2HPGDF10MEN1
SCHEMBL8928546 0.82 OPRK1 (0.51) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928805 0.80 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15

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