SCHEMBL396512

SCHEMBL396512

CC(=Cc1ccccc1NS(=O)(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 3/20 0.64
LMNA P02545 6/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SPHK2 Q9NRA0 1/20 0.56
SPHK1 Q9NYA1 1/20 0.56
MAPT P10636 3/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
NOD2 Q9HC29 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
CA12 O43570 2/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
KEAP1 Q14145 1/20 0.51

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
SCHEMBL396511 1.00 CYP2C9 (0.64) CYP2C9CYP2C19LMNATSHRSMN1; SMN2
SCHEMBL398530 0.92 CYP2C9 (0.51) CYP2C9CYP2C19LMNATSHRSMN1; SMN2
SCHEMBL398528 0.92 CYP2C9 (0.51) CYP2C9CYP2C19LMNATSHRSMN1; SMN2
SCHEMBL29011615 0.83 CYP2C9 (0.66) CYP2C9CYP2C19LMNATSHRSMN1; SMN2
SCHEMBL29011612 0.83 CYP2C9 (0.66) CYP2C9CYP2C19LMNATSHRSMN1; SMN2
SCHEMBL398053 0.80 KMT2A (0.49) TSHRALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL398055 0.80 KMT2A (0.49) TSHRALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL15820897 0.79 CYP2C9 (1.00) CYP2C9CYP2C19LMNATSHRSMN1; SMN2
SCHEMBL396115 0.78 PSIP1 (0.47) CYP2C9LMNAMAPTALDH1A1GAA
SCHEMBL396113 0.78 PSIP1 (0.47) CYP2C9LMNAMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
EP-2105298-A1 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2009-09-30 EP disclosed