SCHEMBL4729495

SCHEMBL4729495

CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C(N)=O)O3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
PKM P14618 3/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
POLB P06746 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 1/20 0.45
PKLR P30613 1/20 0.45
PGR P06401 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4675636 0.88 PKM (0.64) MAPTPKMHDAC3HDAC4HDAC1
SCHEMBL4672292 0.79 HPGD (0.50) MAPTPKMHSD17B10MEN1KMT2A
SCHEMBL14143438 0.75 ADRB3 (0.44) MAPTPKMPOLBTDP1PGR
SCHEMBL4672139 0.75 CYP4F2 (0.41) MAPTPKMHDAC3HDAC1HDAC2
SCHEMBL14143276 0.73 PGR (0.48) MAPTPKMPOLBPGRLMNA
SCHEMBL4670404 0.71 ADRB2 (0.49) MAPTPKMHDAC3HDAC4HDAC1
SCHEMBL29586898 0.71 MAPT (0.44) MAPTPKMPGRLMNACYP2D6
SCHEMBL5839879 0.70 ESR1 (0.56) HDAC3HDAC1HDAC2OPRK1
SCHEMBL1064265 0.69 CYP4F2 (0.44) HDAC3HDAC1HDAC2POLBMEN1
SCHEMBL430182 0.69 CYP4F2 (0.50) HDAC3HDAC1HDAC2POLBHSD17B10

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-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed