SCHEMBL11545658

SCHEMBL11545658

CC(=O)CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
KMT2A Q03164 8/20 0.70
MEN1 O00255 7/20 0.70
POLB P06746 2/20 0.70
MAPT P10636 7/20 0.67
HTT P42858 4/20 0.67
LMNA P02545 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALOX12 P18054 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ABCC9 O60706 1/20 0.59
ABCC8 Q09428 1/20 0.59
KCNJ11 Q14654 1/20 0.59
KCNJ8 Q15842 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57

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
SCHEMBL9408034 0.88 TSHR (0.72) TSHRKMT2AMEN1POLBMAPT
SCHEMBL12012375 0.86 TSHR (1.00) TSHRKMT2AMEN1POLBMAPT
SCHEMBL12010879 0.84 TSHR (0.81) TSHRKMT2AMEN1POLBMAPT
SCHEMBL12903642 0.78 TSHR (0.70) TSHRKMT2AMEN1POLBMAPT
Trimethylammonium SCHEMBL10943396 0.77 MAPT (0.77) TSHRKMT2AMEN1POLBMAPT
SCHEMBL16358830 0.76 TSHR (0.68) TSHRKMT2AMEN1POLBMAPT
SCHEMBL11550738 0.76 HTT (0.73) KMT2AMEN1MAPTHTTLMNA
SCHEMBL13306091 0.76 CA1 (0.75) TSHRKMT2AMEN1POLBMAPT
Sulfuric Acid SCHEMBL11294286 0.76 MAPT (0.74) TSHRKMT2AMEN1POLBMAPT
Trimethylammonium SCHEMBL11770098 0.76 MAPT (0.74) TSHRKMT2AMEN1POLBMAPT

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-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed