SCHEMBL6831599

SCHEMBL6831599

C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
JAK2 O60674 2/20 0.43
AAK1 Q2M2I8 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
KCNQ2 O43526 1/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
PLA2G1B P04054 1/20 0.39
THRB P10828 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39

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
SCHEMBL29481096 0.88 SCN9A (0.45) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3784682 0.85 TRPV1 (0.46) LMNAPOLB
SCHEMBL9283981 0.83 AAK1 (0.51) ALDH1A1JAK2AAK1MAPTLMNA
SCHEMBL9286086 0.83 AAK1 (0.51) ALDH1A1JAK2AAK1MAPTLMNA
SCHEMBL3007581 0.80 JAK2 (0.52) JAK2AAK1SMN1; SMN2MAPTMEN1
SCHEMBL3007580 0.80 JAK2 (0.52) JAK2AAK1SMN1; SMN2MAPTMEN1
SCHEMBL15020425 0.79 HPGD (0.51) ALDH1A1JAK2AAK1NPSR1MAPT
SCHEMBL8347748 0.79 PGR (0.53) ALDH1A1SMN1; SMN2MAPTLMNATP53
SCHEMBL31045386 0.78 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL11903216 0.78 HDAC1 (0.41) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed