SCHEMBL4713475

SCHEMBL4713475

CCCCC(CC)CNS(=O)(=O)c1ccc(CC([N]CC)c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
EPHX1 P07099 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TP53 P04637 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HDAC1 Q13547 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALDH1A1 P00352 6/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL4715548 0.87 MAPT (0.37) MAPTEPHX1TP53TRPV1ALDH1A1
SCHEMBL4716480 0.82 ALDH1A1 (0.37) MAPTCNR1CNR2ALDH1A1HTT
SCHEMBL4711906 0.81 EPHX1 (0.38) MAPTEPHX1TRPV1ALDH1A1POLB
SCHEMBL4711910 0.79 MAPT (0.40) MAPTEPHX1TRPV1POLBELANE
SCHEMBL4716661 0.79 MAPT (0.37) MAPTEPHX1TP53TRPV1TAS1R3
SCHEMBL4713478 0.77 NR1D1 (0.38) MAPTEPHX1TRPV1ALDH1A1GLA
SCHEMBL4022922 0.75 EPHX1 (0.39) MAPTEPHX1TRPV1ALDH1A1GLA
SCHEMBL4711947 0.72 TSHR (0.41) MAPTTP53ALDH1A1GLATSHR
SCHEMBL4025655 0.70 TSHR (0.40) MAPTTP53ALDH1A1GLATSHR
SCHEMBL4718006 0.70 KMT2A (0.39) MAPTTP53ALDH1A1GLATSHR

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-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed