SCHEMBL11565258

SCHEMBL11565258

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.47
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA9 Q16790 8/20 0.47
SNCA P37840 2/20 0.41
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TIMP3 P35625 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NT5E P21589 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
ADAMTS4 O75173 1/20 0.37

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
SCHEMBL11564308 0.81 CASR (0.50) CA12CA1CA2CA9SNCA
SCHEMBL1988912 0.79 CA2 (0.47) CA12CA1CA2CA9SNCA
SCHEMBL1988910 0.79 CA2 (0.47) CA12CA1CA2CA9SNCA
SCHEMBL8570018 0.79 TDP1 (0.48) CA12CA1SMN1; SMN2MEN1KMT2A
SCHEMBL11565532 0.77 TP53 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL10586876 0.77 MAPT (0.44) CA12CA1CA2CA9TSHR
SCHEMBL11070782 0.77 MEN1 (0.46) CA2CA9TSHRSMN1; SMN2LMNA
SCHEMBL11271388 0.77 KCNJ6 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL11057287 0.76 MEN1 (0.43) CA1CA2CA9LMNAMEN1
SCHEMBL11060963 0.76 ATAD2 (0.41) CA1CA2MEN1KMT2A

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