SCHEMBL29951500

SCHEMBL29951500

O=Cc1sc(N2CCC(O)CC2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 8/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
LMNA P02545 3/20 0.33
PSMD14 O00487 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
PIN1 Q13526 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
IKBKB O14920 1/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL15156404 0.91 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2559355 0.81 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL29954693 0.81 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2559191 0.80 LMNA (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15331003 0.78 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15330650 0.77 MAPT (0.50) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL15331172 0.74 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31302518 0.73 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL21352411 0.68 MAPT (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2560430 0.68 HTR1A (0.50) ALDH1A1MAPTMEN1KMT2ALMNA

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