SCHEMBL8928693

SCHEMBL8928693

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
BRD9 Q9H8M2 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 2/20 0.32
HTR4 Q13639 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
RORC P51449 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ATM Q13315 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
SCHEMBL7954261 0.96 BRD4 (0.36) BRD4BRD9TP53MAPTRXFP1
SCHEMBL7946966 0.89 BRD4 (0.31) BRD4BRD9
SCHEMBL7955910 0.84 RORC (0.38) BRD4BRD9TP53MAPTRXFP1
SCHEMBL8928699 0.83 BRD4 (0.33) BRD4BRD9TP53MAPTRXFP1
SCHEMBL7954264 0.81 BRD4 (0.35) BRD4BRD9TP53MAPTGAA
SCHEMBL7955719 0.80 BRD4 (0.33) BRD4BRD9TP53MAPTRXFP1
SCHEMBL7958083 0.79 PDE3B (0.39) BRD4MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL8414704 0.79 RAB9A (0.32) TP53MAPTSMN1; SMN2GAAPOLB
SCHEMBL7955914 0.79 BRD4 (0.33) BRD4BRD9
SCHEMBL6798475 0.79 BRD4 (0.31) BRD4BRD9

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