SCHEMBL11068978

SCHEMBL11068978

C=CCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LIG1 P18858 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
SCHEMBL10970984 0.86 ALDH1A1 (0.48) KDM4ENPC1ALDH1A1MAPTGAA
SCHEMBL10751429 0.86 TSHR (0.42) KDM4ENPC1ALDH1A1MAPTRXFP1
SCHEMBL10969608 0.85 ALDH1A1 (0.59) KDM4ENPC1ALDH1A1MAPTLIG1
SCHEMBL10838000 0.85 ALDH1A1 (0.45) KDM4ENPC1ALDH1A1MAPTGAA
SCHEMBL10754382 0.85 MAPT (0.46) KDM4ENPC1ALDH1A1MAPTRXFP1
SCHEMBL10455417 0.84 ALDH1A1 (0.55) KDM4ENPC1ALDH1A1MAPT
SCHEMBL10727527 0.84 ALDH1A1 (0.47) KDM4ENPC1ALDH1A1MAPTRXFP1
SCHEMBL11062373 0.84 LMNA (0.47) KDM4ENPC1ALDH1A1MAPTRXFP1
SCHEMBL10833802 0.83 CYP3A4 (0.46) KDM4ENPC1ALDH1A1MAPTRXFP1
SCHEMBL10388680 0.83 THRB (0.52) MAPTHPGDTSHRLMNATHRB

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-4425154-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1984-01-10 US disclosed