SCHEMBL6782806

SCHEMBL6782806

Cc1cc(N)c([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ HSF1 Q00613 1/20 0.46
▸ EIF2AK2 P19525 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6783321 0.91 HSF1 (0.56) MAPTNOS1HSF1
SCHEMBL6788964 0.86 SYK (0.44) MAPTCYP3A4LMNAALOX15NOS1
SCHEMBL6782660 0.78 HSF1 (0.53) MAPTNOS1HSF1NPC1RAB9A
SCHEMBL6909983 0.75 HSF1 (0.51) MAPTNOS1HSF1SYK
SCHEMBL15068826 0.74 KDR (0.45) MAPTCYP3A4LMNAALOX15NOS1
SCHEMBL27595965 0.74 HSF1 (0.50) MAPTNOS1HSF1SYK
SCHEMBL9985978 0.74 HSF1 (0.47) HSF1L3MBTL1HPGD
SCHEMBL27595896 0.73 FGFR1 (0.45) MAPTCYP3A4LMNAALOX15NOS1
SCHEMBL27614695 0.73 HSF1 (0.44) MAPTCYP3A4LMNAALOX15NOS1
SCHEMBL6782800 0.72 HSF1 (0.83) MAPTCYP3A4LMNAALOX15NOS1

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
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