SCHEMBL8928699

SCHEMBL8928699

COc1cc(Cl)c2cc(C(=O)NC=NN)n3c2c1C(=O)CCCC3

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.33
BRD9 Q9H8M2 4/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 4/20 0.32
MAPT P10636 3/20 0.32
RXFP1 Q9HBX9 2/20 0.31
HTR4 Q13639 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
STAT6 P42226 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7954264 0.97 BRD4 (0.35) BRD4BRD9GAAL3MBTL1TP53
SCHEMBL8928693 0.83 BRD4 (0.33) BRD4BRD9GAAL3MBTL1TP53
SCHEMBL7955910 0.82 RORC (0.38) BRD4BRD9GAATP53MAPT
SCHEMBL7954261 0.82 BRD4 (0.36) BRD4BRD9L3MBTL1TP53MAPT
SCHEMBL7955723 0.81 BRD4 (0.32) BRD4BRD9L3MBTL1TP53MAPT
SCHEMBL7966685 0.78 BRD4 (0.31) BRD4BRD9
Water SCHEMBL7954095 0.78 MAPT (0.31) L3MBTL1TP53MAPTALDH1A1THRB
SCHEMBL7958093 0.77
SCHEMBL7954114 0.76
SCHEMBL7947181 0.76

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-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed