SCHEMBL11147838

SCHEMBL11147838

CN(CCNS(C)(=O)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ CA12 O43570 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NR3C2 P08235 3/20 0.45
▸ HTT P42858 2/20 0.43
▸ NQO2 P16083 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR7 P34969 2/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR3C1 P04150 1/20 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
SCHEMBL7029379 0.83 CA12 (0.40) POLBCA12CA2CA9HTT
SCHEMBL11553471 0.83 ESR1 (0.39) POLBHTTTP53MAPT
SCHEMBL11392000 0.82 KMT2A (0.44) POLBKMT2AHTR7TP53MAPT
SCHEMBL8649016 0.79 GFER (0.51) POLBNR3C2HTTMEN1KMT2A
SCHEMBL1268616 0.75 TAAR1 (0.45) CA12CA2CA9MEN1KMT2A
SCHEMBL9452211 0.74 ALDH1A1 (0.35) POLBCA12CA2CA9HTT
SCHEMBL6364231 0.74 S100B (0.45) POLBHTTMAPT
SCHEMBL9325427 0.73 NPC1 (0.46) POLBHTTMEN1KMT2AMAPT
SCHEMBL11044440 0.73 CA12 (0.50) CA12CA2CA9HTTMEN1
SCHEMBL20057564 0.73 ADH1B (0.42) CA12CA2CA9HTTMEN1

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
US-4381401-A Aminoethylation process THE DOW CHEMICAL COMPANY (US) 1983-04-26 — — US disclosed
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