SCHEMBL20195398

SCHEMBL20195398

CCOc1cccc(N(N)C(=O)N(C)N)c1COc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA5 P31644 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
MEN1 O00255 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 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
SCHEMBL20195402 0.85 GABRA5 (0.39) L3MBTL1NPC1RAB9AGABRA5MAPK1
SCHEMBL20195561 0.85 GABRA5 (0.39) RXFP1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL20195455 0.85 NPC1 (0.38) NPC1RAB9AGABRA5ALDH1A1GRM5
SCHEMBL20195459 0.84 ADORA2A (0.38) KMT2AL3MBTL1NPC1RAB9AGABRA5
SCHEMBL18831576 0.79 GLA (0.37) KMT2AL3MBTL1RAB9AGLAMEN1
SCHEMBL20686599 0.79 GLA (0.37) KMT2AL3MBTL1RAB9AGLAMEN1
SCHEMBL22590951 0.79 GLA (0.37) KMT2AL3MBTL1RAB9AGLAMEN1
SCHEMBL22563751 0.78 KDM4E (0.34) RXFP1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL18831446 0.77 KMT2A (0.36) KMT2AL3MBTL1NPC1RAB9AMAPK1
SCHEMBL18831766 0.76 MAPT (0.37) L3MBTL1NPC1RAB9AMAPTMRGPRX4

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