SCHEMBL7923394

SCHEMBL7923394

CC(=O)Nc1ccc(S(=O)(=O)O)c(NCCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ENPP2 Q13822 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CDK1 P06493 1/20 0.43
POLB P06746 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
GAA P10253 1/20 0.39
NSD2 O96028 1/20 0.39
BLM P54132 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
APEX1 P27695 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL7918632 0.86 ENPP2 (0.49) KDM4EENPP2ALDH1A1KMT2AMEN1
SCHEMBL16272370 0.81 ENPP2 (0.57) KDM4EENPP2ALDH1A1KMT2AMEN1
SCHEMBL4603032 0.78 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL31055463 0.78 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL11593149 0.77 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AMEN1POLB
Nitrogen SCHEMBL28331972 0.76 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL9459333 0.75 ENPP2 (0.55) KDM4EENPP2ALDH1A1KMT2AMEN1
SCHEMBL14502114 0.72 ALDH1A1 (0.76) ENPP2ALDH1A1KMT2AMEN1CDK1
Hydrochloric Acid SCHEMBL7531560 0.71 ALDH1A1 (0.73) ENPP2ALDH1A1KMT2AMEN1CDK1
SCHEMBL1755227 0.71 ENPP2 (0.56) ENPP2ALDH1A1KMT2AMEN1CDK1

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-6222067-B1 CAN BE USED TO SYNTHESIS MANY KINDS OF DYESTUFFS EVERLIGHT USA, INC. 2001-04-24 US disclosed