SCHEMBL11564308

SCHEMBL11564308

CC(=O)C(Nc1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.50
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
SNCA P37840 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
CASP6 P55212 2/20 0.39
GAA P10253 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
SCHEMBL11565258 0.81 CA12 (0.47) CA12CA1CA2CA9SNCA
SCHEMBL11069740 0.80 RAB9A (0.50) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL8761357 0.78 CASR (0.50) CASRCA12CA1CA2CA9
SCHEMBL27791663 0.77 HSD17B10 (0.48) CA12CA9SMN1; SMN2LMNATSHR
SCHEMBL11271388 0.75 KCNJ6 (0.39) CASRCA12CA1CA2CA9
SCHEMBL3033845 0.74 PKM (0.58) CASRSMN1; SMN2LMNAPKMALDH1A1
SCHEMBL11060963 0.74 ATAD2 (0.41) CASRCA1CA2MEN1KMT2A
SCHEMBL11057287 0.74 MEN1 (0.43) CASRCA1CA2CA9LMNA
SCHEMBL6865288 0.74 SNCA (0.72) CASRCA12CA1CA2CA9
SCHEMBL10049716 0.73 LMNA (0.60) CASRCA12CA1CA2CA9

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-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed