SCHEMBL7962765

SCHEMBL7962765

Cc1ccccc1S(=O)(=O)C(=[N+]=[N-])C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
HSD11B1 P28845 3/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
POLB P06746 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
KAT6A Q92794 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
PTPN1 P18031 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL563505 0.81 HSD11B1 (0.47) ALDH1A1HTTHSD11B1POLBKMT2A
SCHEMBL4541609 0.76 RAPGEF4 (0.42) ALDH1A1HTTHSD11B1SLC1A3SLC1A2
SCHEMBL384657 0.76 ALDH1A1 (0.44) ALDH1A1HTTPOLBCYP2C9CYP2C19
SCHEMBL6932217 0.76 CES2 (0.42) ALDH1A1HTTHSD11B1POLBMEN1
SCHEMBL25431421 0.75 RAPGEF4 (0.38) ALDH1A1ALOX12HTTHSD11B1SLC1A3
SCHEMBL1743909 0.75 EPHX2 (0.43) ALDH1A1ALOX12HTTPOLBMEN1
SCHEMBL6932210 0.73 PARP1 (0.38) ALDH1A1ALOX12POLBCYP2C19
SCHEMBL4926645 0.72 RAPGEF4 (0.40) ALDH1A1HTTHSD11B1SLC1A3SLC1A2
SCHEMBL7694414 0.72 NPC1 (0.31) CA9
SCHEMBL15437896 0.72 SLC1A3 (0.44) ALDH1A1ALOX12HTTHSD11B1SLC1A3

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-6262181-B1 AS COMPONENT OF PHOTORESISTS ARCH SPECIALTY CHEMICALS, INC. 2001-07-17 US disclosed