SCHEMBL11204349

SCHEMBL11204349

CC(=Cc1ccc(N2CCCC2)cc1)[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.56
▸ ALDH1A1 P00352 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MITF O75030 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ ABL2 P42684 1/20 0.50
▸ TRIM24 O15164 1/20 0.50
▸ TRIM33 Q9UPN9 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49

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
SCHEMBL11204347 1.00 FBP1 (0.56) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11202335 0.88 MITF (0.58) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7411254 0.80 FBP1 (0.55) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7411258 0.80 FBP1 (0.55) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11204355 0.76 FBP1 (0.62) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2746679 0.74 FBP1 (0.69) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10664676 0.74 FBP1 (0.69) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2746676 0.74 FBP1 (0.69) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2746675 0.74 FBP1 (0.69) FBP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27946453 0.74 FBP1 (0.69) FBP1ALDH1A1MAPTMEN1KMT2A

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
EP-0068669-A1 Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application BEECHAM GROUP PLC (GB) 1983-01-05 — — EP disclosed
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