SCHEMBL20058308

SCHEMBL20058308

COC(=O)Nc1ccc(N(C)C)c(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.43
▸ KCNB1 Q14721 2/20 0.42
▸ KCNB2 Q92953 1/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ BACE2 Q9Y5Z0 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 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
SCHEMBL15836549 0.81 KCNB1 (0.36) SMN1; SMN2MAPTKCNB1KCNB2BACE1
SCHEMBL10985268 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL21440768 0.75 KCNB1 (0.33) MAPTKCNB1KCNB2BACE1BACE2
SCHEMBL29793691 0.72 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL14048151 0.72 ALDH1A1 (0.42) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL15490163 0.72 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL12505382 0.70 GAA (0.54) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL31565670 0.70 IKBKB (0.49) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL15486878 0.70 MAPT (0.44) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL2092186 0.70 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2AHPGD

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-3309549-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS Waters Technologies Corporation (US) 2018-04-18 — — EP disclosed
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