SCHEMBL6793973

SCHEMBL6793973

C[C@@H](CCO)Nc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.69
BRD4 O60885 6/20 0.50
SYK P43405 2/20 0.42
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 3/20 0.40
MKNK1 Q9BUB5 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.39
NOS1 P29475 1/20 0.39
KDR P35968 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL27595861 1.00 HSF1 (0.69) HSF1BRD4SYKROCK2ROCK1
SCHEMBL6786383 0.93 HSF1 (0.58) HSF1BRD4SYKMAPTNOS1
SCHEMBL27614647 0.93 HSF1 (0.58) HSF1BRD4SYKMAPTNOS1
SCHEMBL9985056 0.93 HSF1 (0.71) HSF1BRD4SYKROCK2ROCK1
SCHEMBL9985053 0.93 HSF1 (0.71) HSF1BRD4SYKROCK2ROCK1
SCHEMBL6782658 0.87 HSF1 (0.78) HSF1BRD4SYKROCK2ROCK1
SCHEMBL6787456 0.87 HSF1 (0.69) HSF1BRD4SYKROCK2ROCK1
SCHEMBL9985474 0.87 HSF1 (0.71) HSF1BRD4SYKROCK2ROCK1
SCHEMBL6793978 0.86 HSF1 (0.73) HSF1BRD4SYKROCK2ROCK1
SCHEMBL9985350 0.85 HSF1 (0.69) HSF1BRD4SYKROCK2ROCK1

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