SCHEMBL11086112

SCHEMBL11086112

CN(C)C(=O)c1ccc(ON)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAOB P27338 1/20 0.50
AOC3 Q16853 1/20 0.50
RAB9A P51151 2/20 0.43
TBXAS1 P24557 1/20 0.43
KIF11 P52732 1/20 0.43
MAPT P10636 2/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP4 Q9UKK3 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ERN1 O75460 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1004649 0.82 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL1659309 0.81 HPGD (0.73) ALDH1A1HPGDSMN1; SMN2MAPTPARP10
SCHEMBL28286245 0.80 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL10915176 0.80 HPGD (0.46) ALDH1A1HPGDSMN1; SMN2RAB9AMAPT
SCHEMBL15386907 0.79 HPGD (0.70) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL2535516 0.79 HPGD (0.70) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL10477068 0.78 SMN1; SMN2 (0.68) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL177478 0.78 HPGD (0.68) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL5612757 0.76 HPGD (0.85) ALDH1A1HPGDSMN1; SMN2MAOBAOC3
SCHEMBL9388919 0.76 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2MAOBAOC3

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-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP disclosed