SCHEMBL6786386

SCHEMBL6786386

CC(O)[C@H](C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.61
BRD4 O60885 6/20 0.52
SYK P43405 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
EIF2AK2 P19525 1/20 0.42
MAPT P10636 4/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
NOS1 P29475 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NTRK1 P04629 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
F2 P00734 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6793978 0.92 HSF1 (0.73) HSF1BRD4SYKMAPTNOS1
SCHEMBL6788960 0.90 HSF1 (0.66) HSF1BRD4SYKL3MBTL1EIF2AK2
SCHEMBL9985581 0.87 HSF1 (0.60) HSF1BRD4SYKL3MBTL1EIF2AK2
SCHEMBL9985583 0.87 HSF1 (0.60) HSF1BRD4SYKL3MBTL1EIF2AK2
SCHEMBL27614647 0.86 HSF1 (0.58) HSF1BRD4SYKL3MBTL1EIF2AK2
SCHEMBL6786383 0.86 HSF1 (0.58) HSF1BRD4SYKL3MBTL1EIF2AK2
SCHEMBL6782800 0.84 HSF1 (0.83) HSF1BRD4SYKL3MBTL1EIF2AK2
SCHEMBL6782658 0.82 HSF1 (0.78) HSF1BRD4SYKMAPTNOS1
SCHEMBL9984692 0.82 HSF1 (0.55) HSF1BRD4SYKL3MBTL1EIF2AK2
SCHEMBL9985053 0.80 HSF1 (0.71) HSF1BRD4SYKMAPTNOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1610667-A 3-nitropyridine derivaives and the pharmaceutical compositions containing said derivatives DONG WHA PHARM IND CO LTD (KR) 2005-04-27 CN disclosed
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