SCHEMBL11244972

SCHEMBL11244972

CC(=O)CC(=O)OS(=O)(=O)c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA4 P22748 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP19A1 P11511 1/20 0.42
POLB P06746 1/20 0.41
PRMT1 Q99873 1/20 0.40
KAT6A Q92794 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL11037152 0.81 TSHR (0.49) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL28278748 0.81 ALDH1A1 (0.43) ALDH1A1TDP1LMNAPOLB
SCHEMBL28363835 0.78 ALDH1A1 (0.56) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11239581 0.76 MAPT (0.46) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11035463 0.75 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10TDP1LMNA
Acetoacetic Acid SCHEMBL11244946 0.75 ALDH1A1 (0.67) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL29289293 0.74 TSHR (0.42) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8378769 0.73 ALDH1A1 (0.50) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11501002 0.73 GAA (0.43) F2ALDH1A1HSD17B10CA2CA12
SCHEMBL11529174 0.73 LMNA (0.57) F2PRSS1PRSS2PRSS3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348204-A COTTON, REGENERATED CELLULOSE, PAPER; TETRAKISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4143033-A WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed