SCHEMBL16217893

SCHEMBL16217893

CCNC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.52
FOLH1 Q04609 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
SLC7A5 Q01650 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
SLC6A2 P23975 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
MME P08473 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL13910050 1.00 ACE (0.52) ACEFOLH1CA12CA1CA9
SCHEMBL15095619 0.88 ESR1 (0.53) ACEFOLH1SLC7A5TAAR1NAALAD2
SCHEMBL15336553 0.88 ESR1 (0.53) ACEFOLH1SLC7A5TAAR1NAALAD2
SCHEMBL12118797 0.87 ATM (0.44) ACE
SCHEMBL11409509 0.85 ALDH1A1 (0.46) ACECA12CA9
SCHEMBL30699914 0.85 SIGMAR1 (0.53) ACECA12CA1CA9SLC7A5
SCHEMBL547121 0.85 FOLH1 (0.61) ACEFOLH1SLC7A5NAALAD2MME
SCHEMBL1287829 0.85 FOLH1 (0.61) ACEFOLH1SLC7A5NAALAD2MME
SCHEMBL4672507 0.85 SIGMAR1 (0.53) ACECA12CA1CA9SLC7A5
SCHEMBL989835 0.85 SIGMAR1 (0.53) ACECA12CA1CA9SLC7A5

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-2014179620-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2014-11-06 WO disclosed