SCHEMBL17660029

SCHEMBL17660029

CCCCCCCCCc1c([N+](=O)[O-])c([N+](=O)[O-])c(C)c2nsnc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ TNF P01375 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14123560 0.79 MAPT (0.46) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL13589744 0.76 TNF (0.38) TNFALDH1A1KCNH2THRBHPGD
SCHEMBL25700623 0.74 TNF (0.36) MAPTTNFALDH1A1KCNH2HTT
SCHEMBL15624647 0.72 MAPT (0.44) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL29739831 0.70 ALDH1A1 (0.42) MAPTTNFALDH1A1KCNH2HPGD
SCHEMBL28238159 0.69 ALDH1A1 (0.41) MAPTALDH1A1KCNH2HPGDL3MBTL1
SCHEMBL22951196 0.67 ALDH1A1 (0.36) TNFALDH1A1KCNH2HPGD
SCHEMBL28524278 0.66 ALDH1A1 (0.42) MAPTALDH1A1KCNH2L3MBTL1MAPK1
SCHEMBL11308968 0.66 PLK1 (0.41) —
SCHEMBL11515010 0.66 ALDH1A1 (0.38) MAPTALDH1A1KCNH2HPGDL3MBTL1

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-20160099397-A1 COMPOSITION FOR FORMING THERMOELECTRIC CONVERSION LAYER, THERMOELECTRIC CONVERSION ELEMENT, AND THERMOELECTRIC POWER GENERATING COMPONENT FUJIFILM CORPORATION (JP) 2016-04-07 — — US disclosed
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