SCHEMBL28415259

SCHEMBL28415259

Cc1ccc(NCCN2c3ccccc3COC2C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ BCHE P06276 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ XBP1 P17861 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28409339 0.89 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2SLC6A2
SCHEMBL28417337 0.89 CES1 (0.34) CES1RAB9ANPC1SMN1; SMN2SLC6A2
SCHEMBL28413739 0.88 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL28409337 0.84 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL28421653 0.82 ICMT (0.37) MAPTRAB9ANPC1SLC6A2ALDH1A1
SCHEMBL28417336 0.82 MTNR1A (0.41) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL28890966 0.80 EBP (0.34) MAPTSLC6A2ALDH1A1TAS1R3TAS1R1
SCHEMBL28409185 0.79 CHRM2 (0.41) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL28891502 0.76 NPC1 (0.32) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL28415256 0.71 BCHE (0.42) MAPTBCHECES1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303065-B N- (arylaminoethyl) -3, 1-benzoxazine-2-ketone compound and preparation method and application thereof 湖南科技大学 2021-11-16 — — CN disclosed
CN-111303065-A N- (arylaminoethyl) -3, 1-benzoxazine-2-ketone compound and preparation method and application thereof 湖南科技大学 2020-06-19 — — CN disclosed
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