SCHEMBL6786131

SCHEMBL6786131

CNc1cc(CCO)nc(Nc2ccc3[nH]ncc3c2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSF1 Q00613 1/20 0.55
▸ MKNK1 Q9BUB5 5/20 0.41
▸ ROCK2 O75116 6/20 0.41
▸ ROCK1 Q13464 4/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ SYK P43405 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ RET P07949 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
SCHEMBL6786813 0.83 HSF1 (0.48) HSF1MKNK1ROCK2ROCK1POLB
SCHEMBL27614606 0.81 HSF1 (0.55) HSF1MKNK1ROCK2ROCK1POLB
SCHEMBL27614696 0.79 HSF1 (0.53) HSF1MKNK1ROCK2ROCK1POLB
SCHEMBL27595866 0.77 HSF1 (0.50) HSF1MKNK1ROCK2ROCK1POLB
SCHEMBL6783321 0.74 HSF1 (0.56) HSF1MKNK1ROCK2ROCK1POLB
SCHEMBL6909983 0.74 HSF1 (0.51) HSF1MKNK1ROCK2ROCK1POLB
SCHEMBL27595896 0.72 FGFR1 (0.45) HSF1ROCK2ROCK1MAPTNOS1
SCHEMBL27614695 0.72 HSF1 (0.44) HSF1ROCK2ROCK1MAPTNOS1
SCHEMBL6783318 0.71 HSF1 (1.00) HSF1MKNK1ROCK2ROCK1POLB
SCHEMBL29380539 0.71 HSF1 (1.00) HSF1MKNK1ROCK2ROCK1POLB

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
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