SCHEMBL12757152

SCHEMBL12757152

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)c2ccc(N(C)c3ccc(C(=O)c4ccc(SCCO)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 7/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 3/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL12757103 0.89 CA2 (0.42) CA2CA12CA1CA7CA13
SCHEMBL12757143 0.87 LMNA (0.43) CA2SMN1; SMN2HPGDALDH1A1KEAP1
SCHEMBL12757120 0.87 CA2 (0.40) CA2CA12CA1CA7CA13
SCHEMBL12757161 0.84 GAA (0.43) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL12757149 0.84 ALDH1A1 (0.47) POLBHPGDALDH1A1MAPK1TSHR
SCHEMBL12757145 0.82 LMNA (0.39) SMN1; SMN2HPGDALDH1A1LMNAMAPT
SCHEMBL12757141 0.82 NPC1 (0.46) CA2CA12CA1HPGDALDH1A1
SCHEMBL12757144 0.82 KMT2A (0.44) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL12757153 0.82 LMNA (0.38) CA2SMN1; SMN2HPGDALDH1A1KEAP1
SCHEMBL12757090 0.81 ALDH1A1 (0.44) POLBSMN1; SMN2HPGDALDH1A1MAPK1

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-8342674-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-8342674-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20110074897-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed
US-20110074897-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed