SCHEMBL20195504

SCHEMBL20195504

CCOc1cccc(N(C)N)c1COc1ncccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
NOTUM Q6P988 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL20195505 0.86 ADRA2A (0.33) GRM5ALDH1A1LMNAHTTKMT2A
SCHEMBL20195625 0.86 NPC1 (0.38) GRM5ALDH1A1LMNAALOX12HTT
SCHEMBL20195500 0.84 HTT (0.33) LMNAHTTKMT2AL3MBTL1SGMS2
SCHEMBL20195451 0.82 ALDH1A1 (0.45) GRM5ALDH1A1LMNAALOX12HTT
SCHEMBL20195561 0.80 GABRA5 (0.39) GRM5ALDH1A1KMT2AL3MBTL1ADRA2A
SCHEMBL20195490 0.77 FFAR1 (0.30)
SCHEMBL18831599 0.77 MRGPRX4 (0.41) ALDH1A1LMNAHTTKMT2AL3MBTL1
SCHEMBL20195598 0.76 KMT2A (0.49) ALDH1A1HTTKMT2AL3MBTL1SGMS2
SCHEMBL20195552 0.75 ALDH1A1 (0.43) ALDH1A1LMNAHTTKMT2AL3MBTL1
SCHEMBL20195434 0.75 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AL3MBTL1KDM4E

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