SCHEMBL11301948

SCHEMBL11301948

Nc1ccc(-c2ccc(N)c(Cl)c2S(=O)(=O)O)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 5/20 0.57
TSHR P16473 4/20 0.57
THRB P10828 2/20 0.57
RECQL P46063 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
CASP1 P29466 1/20 0.57
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
Sulfuric Acid SCHEMBL479273 0.74 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRTHRBRECQL
Sulfuric Acid SCHEMBL30074159 0.74 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRTHRBRECQL
SCHEMBL30839727 0.73 CYP3A4 (0.65) ALDH1A1CYP3A4TSHRTHRBRECQL
SCHEMBL302092 0.73 CYP3A4 (0.65) ALDH1A1CYP3A4TSHRTHRBRECQL
Hydrochloric Acid SCHEMBL5800872 0.71 CYP3A4 (0.62) ALDH1A1CYP3A4TSHRTHRBRECQL
Hydrochloric Acid SCHEMBL7531143 0.71 CYP3A4 (0.62) ALDH1A1CYP3A4TSHRTHRBRECQL
SCHEMBL342035 0.69 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTHRBRECQL
SCHEMBL2856393 0.69 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRTHRBRECQL
SCHEMBL30839718 0.69 CYP3A4 (0.45) ALDH1A1CYP3A4TSHRTHRBRECQL
SCHEMBL27185944 0.69 CYP3A4 (0.45) ALDH1A1CYP3A4TSHRTHRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56009425-A None JP disclosed
JP-S569425-A AROMATIC POLYAMIDE FIBER AND ITS PRODUCTION UBE IND LTD 1981-01-30 JP disclosed