SCHEMBL11301972

SCHEMBL11301972

Nc1ccc(-c2cc(Cl)c(N)c(Cl)c2S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
RECQL P46063 2/20 0.41
ALOX15 P16050 2/20 0.41
THRB P10828 1/20 0.41
NT5E P21589 2/20 0.39
CYP2C9 P11712 2/20 0.38
USP28 Q96RU2 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL27487602 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL11301988 0.73 RAPGEF4 (0.37) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL11301955 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL27794876 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL11301948 0.69 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL7733299 0.69 CA1 (0.42) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL1270822 0.68 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP3A4HPGD
SCHEMBL29566314 0.68 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP3A4HPGD
Sulfuric Acid SCHEMBL28945897 0.67 TSHR (0.46) ALDH1A1HSD17B10TSHRCYP3A4HPGD
Sulfuric Acid SCHEMBL27842634 0.67 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP3A4HPGD

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