SCHEMBL7937657

SCHEMBL7937657

CCOC(=O)c1cn(C2CCS(=O)(=O)CC2)c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRB2 P07550 1/20 0.38
GAPDH P04406 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7929462 0.93 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7846034 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7938737 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7929533 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6814201 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6668604 0.80 KCNH2 (0.55) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7929460 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6709496 0.78 NPSR1 (0.51) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6709588 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6709410 0.77 NPC1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR

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-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed