SCHEMBL9713822

SCHEMBL9713822

CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC3CCCCC3)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.48
CECR2 Q9BXF3 1/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PAX8 Q06710 1/20 0.45
PKM P14618 2/20 0.45
HSD11B1 P28845 1/20 0.44
CYP2C19 P33261 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
SCHEMBL9713850 0.83 LMNA (0.43) GAAKMT2AMEN1NR1H4LMNA
SCHEMBL9713935 0.77 PKM (0.67) NPC1GAAKMT2AMEN1IDO1
SCHEMBL9714263 0.74 PKM (0.60) POLBGAAKMT2AMEN1IDO1
SCHEMBL4067862 0.72 KMT2A (0.69) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6814683 0.72 MAPT (0.53) POLBNPC1GAAKMT2AMEN1
SCHEMBL10891352 0.72 PKM (0.56) POLBNPC1GAAKMT2AMEN1
SCHEMBL9713891 0.71 CNR2 (0.43) NPC1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL4067788 0.71 KMT2A (0.68) GAAKMT2AMEN1ALDH1A1LMNA
Bicarbonate SCHEMBL15226101 0.70 KMT2A (0.66) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL9713815 0.70 CNR1 (0.41) POLBGAAALDH1A1LMNAPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 US disclosed