SCHEMBL20847147

SCHEMBL20847147

CN1CCN(S(C)(=O)=O)C(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL19369325 0.80 TP53 (0.35) TP53ALDH1A1LMNAPIK3C3MEN1
SCHEMBL20846885 0.79 TP53 (0.34) TP53ALDH1A1LMNA
SCHEMBL19369124 0.78 DRD2 (0.40)
SCHEMBL22200199 0.77 TP53 (0.33) TP53
SCHEMBL24377568 0.77 TP53 (0.33) TP53
SCHEMBL16264635 0.73 MEN1 (0.40) TP53ALDH1A1MEN1KMT2AMMP1
SCHEMBL356809 0.72 TP53 (0.45) TP53ALDH1A1LMNAMMP1MMP3
SCHEMBL799217 0.72 TP53 (0.45) TP53ALDH1A1LMNAMMP1MMP3
SCHEMBL799197 0.72 TP53 (0.45) TP53ALDH1A1LMNAMMP1MMP3
SCHEMBL13968266 0.71 PIK3C3 (0.32) PIK3C3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086986-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. (US) 2022-04-28 WO disclosed
WO-2019060365-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. (US) 2019-03-28 WO disclosed