SCHEMBL11498501

SCHEMBL11498501

C=CC/C(=C/c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 6/20 0.51
▸ PRMT1 Q99873 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PAM P19021 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34

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
SCHEMBL11498503 1.00 FBP1 (0.51) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL8137951 0.80 FBP1 (0.61) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL4631916 0.80 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL16030559 0.80 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL4631917 0.80 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL23112863 0.80 FBP1 (0.61) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL9871827 0.76 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL3651740 0.73 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL11285723 0.72 FBP1 (0.60) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL11285728 0.72 FBP1 (0.60) FBP1PRMT1ALDH1A1TSHRAKR1C3

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-4196295-A MICROBIOCIDES, CYCLIZATION INTERNATIONAL MINERALS AND CHEMICAL CORPORATION (US) 1980-04-01 — — US disclosed
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