SCHEMBL7987850

SCHEMBL7987850

CC(C)Oc1cccc(C(=O)[N]S(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
KAT6A Q92794 2/20 0.51
KDM4E B2RXH2 3/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL7984823 0.87 KAT6A (0.48) KMT2AMEN1HTTGAAKAT6A
SCHEMBL7983751 0.83 KAT6A (0.45) KMT2AMEN1HTTGAAKAT6A
SCHEMBL7990723 0.82 KMT2A (0.58) KMT2AMEN1HTTKDM4ENPC1
SCHEMBL7985855 0.80 KAT6A (0.52) KMT2AMEN1HTTKAT6AKDM4E
SCHEMBL6322882 0.78 KMT2A (0.61) KMT2AMEN1HTTGAAKAT6A
SCHEMBL7973296 0.77 KAT6A (0.55) KMT2AMEN1KAT6A
SCHEMBL592781 0.76 RXRA (0.68) KMT2AMEN1HTTGAAKAT6A
SCHEMBL104194 0.76 KMT2A (0.59) KMT2AMEN1HTTGAAKAT6A
SCHEMBL30184304 0.76 RXRA (0.68) KMT2AMEN1HTTGAAKAT6A
SCHEMBL11798200 0.76 KMT2A (0.64) KMT2AMEN1HTTGAAKAT6A

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