SCHEMBL10969065

SCHEMBL10969065

C=C(C)COc1ccccc1S(=O)(=O)NC(=O)Nc1nc(CC)nc(OC)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.44
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL10972119 0.92 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10972533 0.89 ALDH1A1 (0.45) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11088505 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10972218 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10814468 0.85 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10914023 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10459499 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10459906 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10675824 0.81 ALDH1A1 (0.63) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10382723 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1MAPTGAA

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
EP-0044807-B1 N-PHENYLSULFONYL-N'-PYRIMIDINYL- AND -TRIAZINYL UREAS CIBA-GEIGY AG (CH) 1985-11-21 EP claimed
US-4443245-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1984-04-17 US claimed
US-4443245-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1984-04-17 US disclosed