SCHEMBL28876280

SCHEMBL28876280

CCc1c(C(N)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TSHR P16473 1/20 0.49
▸ CTSD P07339 1/20 0.49
▸ FBP1 P09467 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41

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
SCHEMBL3388756 0.85 TSHR (0.63) ALDH1A1MAPTTSHRCTSDFBP1
SCHEMBL27516905 0.85 MAPT (0.43) ALDH1A1MAPTTSHRCTSDFBP1
SCHEMBL7342960 0.85 TSHR (0.48) ALDH1A1MAPTTSHRCTSDSMN1; SMN2
SCHEMBL11749334 0.84 TSHR (0.49) ALDH1A1MAPTTSHRCTSDFBP1
SCHEMBL16952423 0.83 TSHR (0.47) ALDH1A1MAPTTSHRCTSDFBP1
SCHEMBL28203206 0.83 TSHR (0.46) ALDH1A1MAPTTSHRCTSDSMN1; SMN2
SCHEMBL28269516 0.83 TSHR (0.46) ALDH1A1MAPTTSHRCTSDSMN1; SMN2
SCHEMBL28868870 0.83 TSHR (0.46) ALDH1A1MAPTTSHRCTSDSMN1; SMN2
SCHEMBL10192631 0.81 ALDH1A1 (0.58) ALDH1A1MAPTTSHRCTSDFBP1
SCHEMBL27345446 0.81 TSHR (0.47) ALDH1A1MAPTTSHRCTSDSMN1; SMN2

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
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 — — CN disclosed
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