SCHEMBL10526558

SCHEMBL10526558

CCCCc1cc(CCCC)c([N+](=O)[O-])c(CCCC)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL6763394 0.85 ALDH1A1 (0.46) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL7033019 0.85 ALDH1A1 (0.35) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL27608627 0.83 ALDH1A1 (0.41) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL28238159 0.82 ALDH1A1 (0.41) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL5586776 0.81 TYR (0.39) ALDH1A1MAPTTDP1SMN1; SMN2KMT2A
SCHEMBL11515010 0.79 ALDH1A1 (0.38) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL29113885 0.79 ALDH1A1 (0.38) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL11792221 0.78 SKP2 (0.39) ALDH1A1MAPTTDP1SMN1; SMN2KMT2A
SCHEMBL4993974 0.76 TDP1 (0.42) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL11515129 0.76 HTR2A (0.38) ALDH1A1TDP1L3MBTL1SMN1; SMN2KMT2A

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-4844740-A PITCH AND DINITROANILINE UNION CARBIDE CORPORATION (US) 1989-07-04 US disclosed