SCHEMBL10465670

SCHEMBL10465670

CC(=O)C1=CCc2ccccc2S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.37
HSD17B3 P37058 2/20 0.36
NOTUM Q6P988 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYBB P04839 1/20 0.34
APP P05067 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
SNCA P37840 1/20 0.34
NOX3 Q9HBY0 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
LMNA P02545 3/20 0.33
BCHE P06276 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
SCHEMBL6105672 0.84 ALDH1A1 (0.37) NOTUMALDH1A1KDM4EHPGDGAA
SCHEMBL14137780 0.71 MEN1 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3833166 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4600208 0.70 ALDH1A1 (0.46) NOX1HSD17B3NOTUMALDH1A1KDM4E
SCHEMBL3077212 0.70 ALDH1A1 (0.44) NOX1ALDH1A1KDM4EHPGDMEN1
Thioxanthene SCHEMBL11865022 0.69 ALDH1A1 (0.53) NOX1HSD17B3NOTUMALDH1A1KDM4E
SCHEMBL10159180 0.67 ALDH1A1 (0.46) NOX1HSD17B3NOTUMALDH1A1KDM4E
SCHEMBL3074711 0.67 MEN1 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL9216566 0.67 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3074985 0.67 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A

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-4908357-A Insecticides, acaricides FMC CORPORATION (US) 1990-03-13 US disclosed