SCHEMBL31463674

SCHEMBL31463674

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.37
CHRM1 P11229 4/20 0.37
CYP2D6 P10635 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
CHRM4 P08173 3/20 0.34
CHRM3 P20309 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL31463669 0.81 GAA (0.48) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL31463762 0.80 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL31463823 0.79 CHRM2 (0.37) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL31463763 0.73 AKR1C3 (0.40) MEN1KMT2ASMN1; SMN2TSHRLMNA
SCHEMBL5253912 0.71 TP53 (0.46) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL13003548 0.71 SMN1; SMN2 (0.63) CYP2D6MEN1KMT2ASMN1; SMN2HTT
SCHEMBL13910098 0.69 SMN1; SMN2 (0.41) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL31263566 0.69 ALOX5AP (0.34) TSHRCA1CA2
SCHEMBL31263468 0.69 ALOX5AP (0.34) TSHRCA1CA2
SCHEMBL25153263 0.67 CYP3A4 (0.57) CHRM2CHRM1CYP2D6MEN1KMT2A

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