SCHEMBL6786129

SCHEMBL6786129

O=[N+]([O-])c1ccc(NCCCO)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.70
BCL6 P41182 1/20 0.44
BCOR Q6W2J9 1/20 0.44
BRD4 O60885 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.41
NOS1 P29475 1/20 0.41
MKNK1 Q9BUB5 3/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
MAPKAPK2 P49137 1/20 0.40
KDR P35968 4/20 0.39
TNIK Q9UKE5 1/20 0.38
JAK3 P52333 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL9985027 0.89 HSF1 (0.68) HSF1BRD4POLBMAPTMAOB
SCHEMBL9985913 0.84 HSF1 (0.61) HSF1BRD4POLBMAPTMAOB
SCHEMBL9986208 0.83 HSF1 (0.71) HSF1BRD4POLBMAPTMAOB
SCHEMBL6909979 0.83 HSF1 (0.74) HSF1BRD4POLBMAPTMAOB
SCHEMBL9985474 0.83 HSF1 (0.71) HSF1BRD4POLBMAPTMAOB
SCHEMBL6783318 0.82 HSF1 (1.00) HSF1BRD4POLBMAPTMAOB
SCHEMBL29380539 0.82 HSF1 (1.00) HSF1BRD4POLBMAPTMAOB
SCHEMBL29695497 0.82 HSF1 (1.00) HSF1BRD4POLBMAPTMAOB
SCHEMBL27595861 0.82 HSF1 (0.69) HSF1BRD4POLBMAPTMAOB
SCHEMBL9985353 0.82 HSF1 (0.69) HSF1BRD4POLBMAPTMAOB

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
US-6743795-B1 INHIBITORS FOR HEPATITIS B AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) BECAUSE THEY INTERFERE WITH REMOVAL OF RNA STRAND FROM RNA-DNA HYBRID FORMED DURING THE REVERSE TRANSCRIPTION OF VIRAL RNA TO DNA DONG WHA PHARM. IND. CO. LTD. (KR) 2004-06-01 US disclosed