SCHEMBL11558136

SCHEMBL11558136

COc1nsc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MERTK Q12866 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
TSHR P16473 2/20 0.31
COMT P21964 1/20 0.31
POLB P06746 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL11443105 0.71 TSHR (0.34) ALDH1A1TSHRMPI
SCHEMBL11563511 0.71 TSHR (0.34) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL321260 0.71 MAPT (0.44) MAPTALDH1A1KDM4ETDP1BLM
SCHEMBL11390829 0.69
SCHEMBL3104937 0.67 CYP1A2 (0.44) MAPTALDH1A1KDM4ETDP1BLM
SCHEMBL31319757 0.66
SCHEMBL502077 0.66 MAPT (0.54) MAPTALDH1A1KDM4ETDP1BLM
SCHEMBL2786861 0.66 CA1 (0.44) MAPTALDH1A1KDM4ETDP1BLM
SCHEMBL2070426 0.66 MAPT (0.46) MAPTALDH1A1KDM4ETDP1BLM
SCHEMBL3102887 0.66 MAPT (0.40) MAPTALDH1A1KDM4ETDP1BLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167575-A BIOCIDES ROHM AND HAAS COMPANY (US) 1979-09-11 US disclosed
US-4053479-A BIOCIDES ROHM AND HAAS COMPANY (US) 1977-10-11 US disclosed
US-3957808-A BIOCIDES ROHM AND HAAS COMPANY (US) 1976-05-18 US disclosed