SCHEMBL7962771

SCHEMBL7962771

CC(C)(C)C(=O)C(=[N+]=[N-])S(=O)(=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD11B1 P28845 1/20 0.41
HSD17B10 Q99714 2/20 0.40
MMP1 P03956 2/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
FAAH O00519 1/20 0.37
ELANE P08246 1/20 0.37
PRTN3 P24158 1/20 0.37
KMT2A Q03164 3/20 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
SCHEMBL17221973 0.77 GAA (0.45) TSHRSMN1; SMN2CA1CA2CA5A
SCHEMBL563505 0.76 HSD11B1 (0.47) TSHRSMN1; SMN2HSD11B1HSD17B10KMT2A
SCHEMBL6549890 0.73 CA2 (0.52) TSHRSMN1; SMN2CA1CA2CA5A
SCHEMBL1457443 0.72 CA1 (0.54) TSHRSMN1; SMN2CA1CA2CA5A
SCHEMBL7757515 0.71 CA1 (0.46) TSHRSMN1; SMN2CA1CA2CA5A
SCHEMBL7962765 0.71 ALDH1A1 (0.37) CA1CA2CA9HSD11B1KMT2A
SCHEMBL3241398 0.69 PRSS1 (0.50) TSHRSMN1; SMN2CA1CA2CA5A
SCHEMBL7271933 0.68 CA1 (0.42) TSHRSMN1; SMN2CA1CA2CA5A
SCHEMBL7594223 0.67 PRSS1 (0.52) TSHRSMN1; SMN2CA1CA2CA5A
SCHEMBL563289 0.67

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