SCHEMBL7987781

SCHEMBL7987781

CCCS(=O)(=O)[N]C(=O)c1cccc(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.48
KMT2A Q03164 3/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.45
NR1H4 Q96RI1 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44

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) KAT6AKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7973364 0.88 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL7985855 0.86 KAT6A (0.52) KAT6AKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7983751 0.85 KAT6A (0.45) KAT6AKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7984806 0.83 PARP10 (0.50) KMT2AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7984991 0.81 KAT6A (0.54) KAT6AKMT2AMEN1NR1H4MAPK1
SCHEMBL7989108 0.80 L3MBTL1 (0.48) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7983792 0.79 CES2 (0.46) KAT6AKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7991787 0.79 ALDH1A1 (0.45) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7973495 0.78 NPSR1 (0.46) HPGDSMN1; SMN2ALDH1A1LMNANPSR1

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