SCHEMBL3407875

SCHEMBL3407875

Cn1ccnc1Cn1ccnc1-c1ncco1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
FDPS P14324 1/20 0.36
BRD4 O60885 7/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX7 Q99572 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3062374 0.74 PKM (0.38) HSD17B10
SCHEMBL17768786 0.70
SCHEMBL17768785 0.67
SCHEMBL16510089 0.66 BRD4 (0.34) BRD4P2RX7
SCHEMBL27699806 0.65 DPP4 (0.40) BRD4KMT2AMEN1ALDH1A1POLB
SCHEMBL13844412 0.64 BRD4 (0.37) BRD4P2RX7
SCHEMBL17305900 0.63 EGLN1 (0.48) FDPSKMT2AMEN1ALDH1A1POLB
SCHEMBL17996825 0.63 EGLN1 (0.48) FDPSKMT2AMEN1ALDH1A1POLB
SCHEMBL4063363 0.63 FDPS (0.48) FDPSKMT2AMEN1ALDH1A1POLB
SCHEMBL7154948 0.63 FDPS (0.48) FDPSKMT2AMEN1ALDH1A1POLB

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-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed