SCHEMBL6788964

SCHEMBL6788964

CC(C)c1cc(N)c([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.44
▸ HSF1 Q00613 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ EIF2AK2 P19525 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL6782660 0.92 HSF1 (0.53) SYKHSF1MAPTNOS1NPC1
SCHEMBL6782806 0.86 MAPT (0.46) SYKHSF1MAPTCYP3A4LMNA
SCHEMBL6783321 0.78 HSF1 (0.56) HSF1MAPTNOS1
SCHEMBL6909983 0.77 HSF1 (0.51) SYKHSF1MAPTNOS1
SCHEMBL27595965 0.72 HSF1 (0.50) SYKHSF1MAPTNOS1
SCHEMBL6788960 0.72 HSF1 (0.66) SYKHSF1MAPTCYP3A4LMNA
SCHEMBL18196438 0.71 MKNK1 (0.53) SYKHSF1MAPTKDM4EKMT2A
SCHEMBL15068826 0.70 KDR (0.45) SYKHSF1MAPTCYP3A4LMNA
SCHEMBL6782800 0.70 HSF1 (0.83) SYKHSF1MAPTCYP3A4LMNA
SCHEMBL9985978 0.69 HSF1 (0.47) HSF1L3MBTL1

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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