SCHEMBL8928429

SCHEMBL8928429

CCOC(=O)Cn1c(C(=O)NCc2nnc3n2-c2sc(C)c(C)c2C(c2ccccc2)=NC3)cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BRD4 O60885 8/20 0.35
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
BRD2 P25440 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F10 P00742 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 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
SCHEMBL8928876 0.92 MEN1 (0.37) MEN1KMT2ABRD4RECQLSMN1; SMN2
SCHEMBL8928561 0.88 RECQL (0.38) MEN1KMT2ARECQLSMN1; SMN2HPGD
SCHEMBL8928766 0.87 OPRK1 (0.42) MEN1KMT2ARECQLSMN1; SMN2HPGD
SCHEMBL8928710 0.87 RECQL (0.38) MEN1KMT2ARECQLSMN1; SMN2HPGD
SCHEMBL8928579 0.82 OPRK1 (0.43) MEN1KMT2ABRD4RECQLSMN1; SMN2
SCHEMBL8928402 0.80 OPRK1 (0.53) MEN1KMT2A
SCHEMBL8928678 0.80 MEN1 (0.39) MEN1KMT2ABRD4RECQLSMN1; SMN2
SCHEMBL8928748 0.79 OPRK1 (0.42) MEN1KMT2ARECQLSMN1; SMN2HPGD
SCHEMBL8928636 0.78 MIF (0.44) BRD4KDM4EHSD17B10
SCHEMBL8928637 0.77 MEN1 (0.42) MEN1KMT2ARECQLSMN1; SMN2HPGD

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