SCHEMBL8928869

SCHEMBL8928869

Cc1sc2c(c1C)C(c1ccccc1)=NCc1nnc(N(C)C(=O)c3cc4ccccc4n3CC(=O)O)n1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CCKAR P32238 1/20 0.35
BRD4 O60885 6/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTAFR P25105 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD2 P25440 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL8928668 0.87 PTAFR (0.38) L3MBTL1MEN1KMT2ACCKARBRD4
SCHEMBL8928631 0.84 MEN1 (0.39) L3MBTL1MEN1KMT2ACCKARBRD4
SCHEMBL8928732 0.84 OPRK1 (0.44) L3MBTL1MEN1KMT2ACCKARBRD4
SCHEMBL8928876 0.83 MEN1 (0.37) L3MBTL1MEN1KMT2ACCKARBRD4
SCHEMBL8928667 0.80 OPRK1 (0.44) MEN1KMT2ACCKARBRD4LMNA
SCHEMBL8928440 0.78 OPRK1 (0.55) MEN1KMT2ACCKARCYP3A4PTAFR
SCHEMBL8928429 0.76 MEN1 (0.35) MEN1KMT2ABRD4ALDH1A1CYP1A2
SCHEMBL8689291 0.73 MEN1 (0.39) L3MBTL1MEN1KMT2ACCKARBRD4
SCHEMBL9038947 0.71 BRD4 (0.50) BRD4LMNAPTAFRGABRA1GABRA5
SCHEMBL8928678 0.70 MEN1 (0.39) L3MBTL1MEN1KMT2ACCKARBRD4

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