SCHEMBL8684306

SCHEMBL8684306

O=C(O)C1CC(S(=O)(=O)c2ccccc2F)C(c2ccccc2F)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KAT6A Q92794 2/20 0.34
HTR6 P50406 1/20 0.34
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
DNMT1 P26358 1/20 0.32
RECQL P46063 1/20 0.32
VCP P55072 1/20 0.32
CASP6 P55212 1/20 0.32
UBE2I P63279 1/20 0.32
MCL1 Q07820 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK1 Q13546 2/20 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
SCHEMBL8670311 0.92 KDM4E (0.35) MEN1KMT2ACYP3A4CYP2C9HTR6
SCHEMBL8871034 0.89 KMT2A (0.38) MEN1KMT2ACYP3A4CYP2C9KAT6A
SCHEMBL8666857 0.89 KMT2A (0.38) MEN1KMT2ACYP3A4CYP2C9KAT6A
Hydrochloric Acid SCHEMBL8666991 0.88 KMT2A (0.37) MEN1KMT2ACYP3A4CYP2C9KAT6A
SCHEMBL8683694 0.85 KMT2A (0.41) MEN1KMT2ACYP3A4CYP2C9ALDH1A1
SCHEMBL8685324 0.83 L3MBTL1 (0.38) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL8689402 0.83 MEN1 (0.35) MEN1KMT2ACYP3A4CYP2C9KAT6A
Hydrochloric Acid SCHEMBL8689708 0.82 MEN1 (0.35) MEN1KMT2ACYP3A4CYP2C9KAT6A
SCHEMBL8683686 0.81 LMNA (0.38) MEN1KMT2AKAT6AHTR6ALDH1A1
SCHEMBL8684161 0.81 MAPT (0.40) MEN1KMT2AALDH1A1POLBMAPT

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
US-5716936-A Pyrrolidine derivatives for the treatment of cholecystokinine and gastrine-related disorders RHONE-POULENC RORER S.A. (FR) 1998-02-10 US disclosed