SCHEMBL25360643

SCHEMBL25360643

O=[C]OCCS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A12 Q96S37 13/20 0.39
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL9013754 0.76 KEAP1 (0.49) MEN1KMT2AALDH1A1
SCHEMBL11333204 0.76 PLCG1 (0.55) MEN1KMT2A
SCHEMBL696558 0.76 MEN1 (0.49) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL1148926 0.76 MEN1 (0.49) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL9040819 0.74 CA1 (0.46) MEN1KMT2AALDH1A1CYP2C9
SCHEMBL10292998 0.73 KMT2A (0.53) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL4565550 0.73 MEN1 (0.46) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL20714808 0.73 KMT2A (0.46) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL453331 0.72 MMP1 (0.50) KMT2AHSD11B1ALDH1A1CYP2C9
SCHEMBL28051 0.72 PSIP1 (0.47) MEN1KMT2AHSD11B1ALDH1A1RAB9A

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-2023157030-A1 PROCESS FOR THE PREPARATION OF 1-(4-(((6-AMINO-5-(4-PHENOXYPHENYL)PYRIMIDIN-4-YL) AMINO)METHYL)PIPERIDIN-1-YL)PROP-2-EN-1-ONE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-08-24 WO disclosed