SCHEMBL7918632

SCHEMBL7918632

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CDK1 P06493 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PRMT3 O60678 1/20 0.41
EP300 Q09472 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT1 Q99873 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 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
SCHEMBL7923394 0.86 KDM4E (0.48) ENPP2ALDH1A1CDK1KDM4EHPGD
SCHEMBL16272370 0.84 ENPP2 (0.57) ENPP2ALDH1A1CDK1KDM4EHPGD
SCHEMBL9459333 0.77 ENPP2 (0.55) ENPP2ALDH1A1CDK1KDM4EHPGD
SCHEMBL13901754 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL7531560 0.76 ALDH1A1 (0.73) ENPP2ALDH1A1CDK1LMNAKMT2A
SCHEMBL3423461 0.76 ENPP2 (0.44) ENPP2ALDH1A1CDK1KDM4EPRMT3
SCHEMBL14502114 0.74 ALDH1A1 (0.76) ENPP2ALDH1A1CDK1LMNAKMT2A
SCHEMBL11760216 0.73 SMN1; SMN2 (0.57) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL1755227 0.73 ENPP2 (0.56) ENPP2ALDH1A1CDK1PHLPP2KMT2A
SCHEMBL11132359 0.72 ALDH1A1 (0.51) ENPP2ALDH1A1KDM4EKMT2AMEN1

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