SCHEMBL398528

SCHEMBL398528

C/C(=C\c1ccccc1NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.50
SNCA P37840 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC1 Q13547 1/20 0.48
ELANE P08246 1/20 0.47
PRTN3 P24158 1/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
METAP2 P50579 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45

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
SCHEMBL398530 1.00 CYP2C9 (0.51) CYP2C9CYP2C19KMT2ASNCASMN1; SMN2
SCHEMBL396511 0.92 CYP2C9 (0.64) CYP2C9CYP2C19SMN1; SMN2ALDH1A1TSHR
SCHEMBL396512 0.92 CYP2C9 (0.64) CYP2C9CYP2C19SMN1; SMN2ALDH1A1TSHR
SCHEMBL398053 0.85 KMT2A (0.49) KMT2AALDH1A1TSHRGAA
SCHEMBL398055 0.85 KMT2A (0.49) KMT2AALDH1A1TSHRGAA
SCHEMBL396115 0.82 PSIP1 (0.47) CYP2C9KMT2AALDH1A1LMNAMEN1
SCHEMBL396113 0.82 PSIP1 (0.47) CYP2C9KMT2AALDH1A1LMNAMEN1
SCHEMBL6242249 0.82 HDAC1 (0.52) CYP2C9CYP2C19KMT2ASNCASMN1; SMN2
SCHEMBL23638096 0.78 AKR1C3 (0.53) CYP2C9CYP2C19SMN1; SMN2ALDH1A1HTT
SCHEMBL397675 0.77 HDAC1 (0.78) KMT2AALDH1A1HDAC1MEN1GAA

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 2 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