SCHEMBL20195647

SCHEMBL20195647

Cc1cccnc1OCc1c(C)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
SGMS2 Q8NHU3 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MYC P01106 1/20 0.42
NAPRT Q6XQN6 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL20195585 0.88 ATP4A (0.43) SGMS2TDP1ALDH1A1MAPTNPSR1
SCHEMBL20195598 0.87 KMT2A (0.49) SGMS2ALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL20195627 0.79 ALDH1A1 (0.48) KDM4ESGMS2TDP1ALDH1A1L3MBTL1
SCHEMBL20195656 0.78 L3MBTL1 (0.50) SGMS2TDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL16280257 0.77 ALDH1A1 (0.52) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL20195552 0.76 ALDH1A1 (0.43) SGMS2ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL16920917 0.75 SLC22A12 (0.53) KDM4ESGMS2ALDH1A1HPGDHSD17B10
SCHEMBL20798281 0.75 ALDH1A1 (0.50) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL3141899 0.74 MRGPRX4 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL12197598 0.74 KDM4E (0.49) KDM4ETDP1ALDH1A1HPGDHSD17B10

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed