SCHEMBL9658374

SCHEMBL9658374

CC(c1cc(N)ccc1N)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TSHR P16473 4/20 0.47
RECQL P46063 3/20 0.47
CYP3A4 P08684 3/20 0.47
THRB P10828 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 2/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
NT5E P21589 2/20 0.36
TDP1 Q9NUW8 5/20 0.36
PKM P14618 3/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL10766337 0.85 ALDH1A1 (0.41) ALDH1A1TSHRRECQLCYP3A4THRB
Sulfuric Acid SCHEMBL2987321 0.81 ALDH1A1 (0.52) ALDH1A1TSHRRECQLCYP3A4THRB
SCHEMBL11562622 0.81 CYP3A4 (0.40) ALDH1A1TSHRRECQLCYP3A4THRB
SCHEMBL29236434 0.80 ALDH1A1 (0.37) ALDH1A1TSHRRECQLCYP3A4THRB
SCHEMBL27511437 0.77 ALDH1A1 (0.43) ALDH1A1TSHRRECQLCYP3A4THRB
Sulfuric Acid SCHEMBL4410003 0.77 ALDH1A1 (0.55) ALDH1A1TSHRRECQLCYP3A4THRB
SCHEMBL9489956 0.76 RAPGEF4 (0.43) ALDH1A1TSHRRECQLCYP3A4THRB
SCHEMBL9555458 0.76 S100B (0.49) ALDH1A1TSHRRECQLCYP3A4HSD17B10
SCHEMBL11561462 0.76 CA1 (0.41) ALDH1A1CYP3A4CASP1ALOX15L3MBTL1
SCHEMBL446559 0.74 ALDH1A1 (0.41) ALDH1A1TSHRRECQLCYP3A4THRB

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
US-5116733-A Polyvinylidene fluoride KONICA CORPORATION (JP) 1992-05-26 US disclosed
EP-0080905-A1 Silver halide color photographic material KONICA CORPORATION (JP) 1983-06-08 EP disclosed