SCHEMBL9178174

SCHEMBL9178174

CS(=O)(=O)/C(=C/c1ccccc1)COC(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1C3 P42330 2/20 0.39
FBP1 P09467 2/20 0.39
RECQL P46063 1/20 0.37
PTGS2 P35354 2/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL9178170 1.00 MEN1 (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL13434047 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL20546494 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2AKR1C3
SCHEMBL20546495 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2AKR1C3
SCHEMBL8914970 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8914974 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8914962 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL668642 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1AKR1C3RECQL
SCHEMBL1318638 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1694976 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A

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
EP-0496836-B1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RES CORP TECHNOLOGIES INC (US) 1995-06-14 EP disclosed
WO-1991005564-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-05-02 WO disclosed