SCHEMBL31463669

SCHEMBL31463669

CC(=O)OC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5253912 0.90 TP53 (0.46) GAATSHRALDH1A1MAPK1CYP2C19
SCHEMBL31463762 0.85 CHRM2 (0.40) GAATSHRMAPK1CHRM2MEN1
SCHEMBL31463823 0.81 CHRM2 (0.37) GAATSHRALDH1A1CYP2C19CHRM2
SCHEMBL31463674 0.81 CHRM2 (0.37) GAATSHRCHRM2MEN1KMT2A
SCHEMBL3134779 0.79 TP53 (0.53) TSHRALDH1A1CHRM2MEN1KMT2A
SCHEMBL791338 0.79 TSHR (0.45) GAATSHRALDH1A1MAPK1CYP2C19
SCHEMBL19596732 0.77 TSHR (0.44) GAATSHRALDH1A1MAPK1CYP2C19
SCHEMBL17851396 0.77 TSHR (0.44) GAATSHRALDH1A1MAPK1CYP2C19
SCHEMBL13003548 0.75 SMN1; SMN2 (0.63) ALDH1A1MEN1KMT2ACYP2D6POLB
SCHEMBL21938016 0.75 TP53 (0.45) GAATSHRALDH1A1MAPK1TP53

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-2025024707-A1 INHIBITORS OF CDK2/4/6 KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed