SCHEMBL13636835

SCHEMBL13636835

CC(=O)c1cc(N)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL3494879 0.84 HSD11B1 (0.46) HSD11B1ALDH1A1MEN1KMT2APOLB
SCHEMBL3493018 0.84 HSD11B1 (0.46) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4773217 0.82 PTGDR2 (0.55) HSD11B1ALDH1A1MAPTKDM4ECYP2C19
SCHEMBL3492576 0.82 KMT2A (0.46) HSD11B1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3491420 0.81 HSD11B1 (0.50) HSD11B1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3493327 0.79 HSD11B1 (0.45) HSD11B1PTGS2PTGDR2
SCHEMBL14270838 0.77 HSD11B1 (0.45) HSD11B1ALDH1A1KDM4ECYP3A4USP2
SCHEMBL7498254 0.77 PTGDR2 (0.49) HSD11B1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4705593 0.77 AKR1C3 (0.48) HSD11B1
SCHEMBL8434832 0.76 HSD11B1 (0.44) HSD11B1ALDH1A1MAPTKDM4ETDP1

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
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed