SCHEMBL7973288

SCHEMBL7973288

CC(C)c1ccc(C(=O)[N]S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 2/20 0.46
USP5 P45974 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC9A1 P19634 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL7973511 0.84 USP5 (0.45) LMNAKDM4ECYP2C9USP5HTT
SCHEMBL7990842 0.80 CES2 (0.48) LMNAKDM4ESMN1; SMN2ALDH1A1CA1
SCHEMBL7987821 0.80 USP5 (0.41) LMNAKDM4ECYP2C9USP5HTT
SCHEMBL7990738 0.78 ALDH1A1 (0.50) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7990723 0.77 KMT2A (0.58) LMNAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL7987811 0.76 CES2 (0.48) CA1CA2CA9MAPTRAB9A
SCHEMBL6316323 0.75 CES2 (0.44) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL7973336 0.73 ALDH1A1 (0.53) LMNAHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1148332 0.72 CNR1 (0.58) LMNAKDM4ECYP2C9USP5HTT
SCHEMBL9420297 0.72 CYP2C9 (0.57) LMNAKDM4ECYP2C9USP5HTT

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-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed