SCHEMBL11428124

SCHEMBL11428124

CCOCCOCCOc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 10/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 2/20 0.48
CYP3A4 P08684 3/20 0.46
TSHR P16473 1/20 0.46
S1PR4 O95977 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 2/20 0.42
CYP19A1 P11511 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL11428399 0.99 TDP1 (0.59) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL11427652 0.90 HTT (0.56) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL11419463 0.89 TDP1 (0.55) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL11426633 0.89 TDP1 (0.55) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL11430480 0.89 TDP1 (0.61) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL5511217 0.89 HTT (0.58) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL11233176 0.88 TDP1 (0.67) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL29469600 0.85 TDP1 (0.64) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL397794 0.85 TDP1 (0.64) TDP1ALDH1A1LMNAMAPTKMT2A
SCHEMBL700508 0.85 TDP1 (0.68) TDP1ALDH1A1LMNAMAPTKMT2A

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-4195973-A Process for printing with developing dyes which employs having ether substituents derived from glycols, polyglycols, or alkoxy derivatives thereof HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-01 US disclosed