SCHEMBL28042445

SCHEMBL28042445

COc1ccc(C(C)=O)cc1S(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 1/20 0.49
TRPV4 Q9HBA0 1/20 0.47
ADRB2 P07550 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CREBBP Q92793 1/20 0.43
CA12 O43570 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
SCHEMBL31172621 1.00 PKM (0.54) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL135000 0.87 PKM (0.71) PKMALDH1A1KMT2ANPSR1MAPT
SCHEMBL26073978 0.87 TRPV4 (0.60) PKMALDH1A1KMT2AMEN1TRPV4
SCHEMBL29430636 0.85 MAPT (0.55) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL1020735 0.85 MAPT (0.55) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL3883855 0.85 PKM (0.56) PKMALDH1A1NPSR1TRPV4MAPT
SCHEMBL11264181 0.85 SMN1; SMN2 (0.59) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL25602396 0.84 TNFRSF1A (0.49) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL7144945 0.83 PKM (0.77) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL27781532 0.83 TSHR (0.61) ALDH1A1KMT2AMEN1MAPTGAA

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
CN-105017098-A Preparation technology of alkyloxybenzsulfamide and its derivatives DALIAN QIKAI MEDICAL TECHNOLOGY CO LTD 2015-11-04 CN disclosed