SCHEMBL8604165

SCHEMBL8604165

Nc1cccc2cc(SSc3cccc4c(N)cccc34)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
KEAP1 Q14145 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HPRT1 P00492 1/20 0.37
NR4A2 P43354 1/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 3/20 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
SCHEMBL222833 0.88 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL223523 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL224317 0.74 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL225183 0.72 HSD17B10 (0.41) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL224693 0.71 PLAU (0.57) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL223790 0.70 HSD17B10 (0.50) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL225136 0.69 CYP3A4 (0.50) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL29404930 0.68 PLAU (0.63) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL29498391 0.68 PLAU (0.63) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL731002 0.68 PLAU (0.63) ALDH1A1CYP3A4HPGDHSD17B10TSHR

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-5816939-A AGING RESISTANCE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed