SCHEMBL8316223

SCHEMBL8316223

COc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 1/20 0.44
KLK7 P49862 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8315058 0.89 KMT2A (0.43) MEN1KMT2A
SCHEMBL8313496 0.87 KCNJ5 (0.45)
SCHEMBL8317702 0.85 AVPR2 (0.52) GFERMAPTALDH1A1SMN1; SMN2
SCHEMBL8317310 0.85 AVPR1A (0.52) GAAGFERKMT2ATSHRMAPT
SCHEMBL8316010 0.84 AVPR1A (0.40) MEN1KMT2ALDHALDHB
SCHEMBL8318571 0.80 MAPT (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8318313 0.79 AVPR2 (0.45) MAPT
SCHEMBL6988600 0.78 GAA (0.52) GAAGFERMEN1KMT2ATSHR
SCHEMBL7333364 0.77 AVPR1A (0.61)
SCHEMBL8314230 0.77 AVPR1A (0.48)

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-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed