SCHEMBL11204355

SCHEMBL11204355

CC(=Cc1ccc(-n2cccc2)cc1)[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 7/20 0.62
▸ ALDH1A1 P00352 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ MITF O75030 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ EGFR P00533 2/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ ABL2 P42684 1/20 0.51
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL7409783 0.81 MAPT (0.53) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL7409786 0.81 MAPT (0.53) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL1032131 0.77 FBP1 (1.00) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL1749791 0.77 FBP1 (1.00) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL1127238 0.77 FBP1 (1.00) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL11204349 0.76 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL11204347 0.76 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL2746675 0.75 FBP1 (0.69) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL2746679 0.75 FBP1 (0.69) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL10664676 0.75 FBP1 (0.69) FBP1ALDH1A1LMNAMAPTMEN1

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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