SCHEMBL7985855

SCHEMBL7985855

CCOc1cccc(C(=O)[N]S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.52
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7984963 0.90 KAT6A (0.51) KAT6AKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7973296 0.87 KAT6A (0.55) KAT6AKMT2AMEN1MAPK1NR1H4
SCHEMBL7987781 0.86 KAT6A (0.48) KAT6AKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL21157003 0.81 KMT2A (0.52) KAT6AKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7990900 0.81 PARP10 (0.56) KMT2AHPGDALDH1A1KDM4EHSD17B10
SCHEMBL7987850 0.80 KMT2A (0.51) KAT6AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5139133 0.79 HPGD (0.68) KAT6AKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7985860 0.78 KAT6A (0.61) KAT6AKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7984991 0.77 KAT6A (0.54) KAT6AKMT2AMEN1MAPK1NR1H4
SCHEMBL1333545 0.77 KMT2A (0.75) KMT2AHPGDALDH1A1SMN1; SMN2MAPT

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