SCHEMBL29956892

SCHEMBL29956892

CNC(=O)NC(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MME P08473 2/20 0.41
RAB9A P51151 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.38
FOLH1 Q04609 2/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
TP53 P04637 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL5126162 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL16556784 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL18180339 0.86 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL21202140 0.86 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL14365811 0.79 SMN1; SMN2 (0.34) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL12304285 0.79 ALDH1A1 (0.54) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL15154265 0.77 MME (0.39) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL9075495 0.75 MME (0.38) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL17676773 0.75 MME (0.38) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL748887 0.75 SMN1; SMN2 (0.53) SMN1; SMN2TSHRLMNAALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed