SCHEMBL23850342

SCHEMBL23850342

CC(C)C(C(N)=O)c1nc(Cl)ncc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
FFAR2 O15552 5/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
XPO1 O14980 1/20 0.32
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APP P05067 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 0.30
KCNQ5 Q9NR82 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
SCHEMBL1554935 0.75 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1GAAPOLBCASP6
SCHEMBL12413632 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAAPOLBCASP6
SCHEMBL28182534 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2A
SCHEMBL30463142 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2A
SCHEMBL28182535 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2A
SCHEMBL30577163 0.72 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1GAAPOLBCASP6
SCHEMBL5335551 0.72 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1GAAPOLBCASP6
SCHEMBL23850565 0.71 KMT2A (0.45) SMN1; SMN2FFAR2KMT2A
SCHEMBL20165502 0.71 MAPK1 (0.49) SMN1; SMN2ALDH1A1GAAXPO1POLB
SCHEMBL16885200 0.69 MAPT (0.40) SMN1; SMN2ALDH1A1GAAPOLBCASP6

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-3883925-A1 CYCLIC UREAS Sironax Ltd (KY) 2021-09-29 EP disclosed