Bumetrizole

Bumetrizole

SCHEMBL5439787

COCC(C)O.Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 3/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
HSPA5 P11021 1/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
HIF1A Q16665 1/20 0.32
PDE2A O00408 3/20 0.31
PDE10A Q9Y233 1/20 0.31

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
Bumetrizole SCHEMBL8603228 0.87 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL23734 0.87 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL8056551 0.87 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL8054070 0.87 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL2398487 0.87 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL29353083 0.87 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL9273939 0.86 NPC1 (0.52) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL10836210 0.86 NPC1 (0.52) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL9301984 0.86 NPC1 (0.52) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL6029618 0.86 NPC1 (0.52) NPC1RAB9APOLBALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185275-A1 Chemical composition and method of polymerisation thereof for use on vehicle bodywork repair INDUSTRIA CHIMICA REGGIANA I.C.R. S.P.A. 2007-08-09 US disclosed
EP-1654325-A1 CHEMICAL COMPOSITION AND METHOD OF POLYMERISATION THEREOF FOR USE ON VEHICLE BODYWORK REPAIR Industria Chimica Reggiana I.C.R. S.P.A. (IT) 2006-05-10 EP disclosed
WO-2005014721-A1 CHEMICAL COMPOSITION AND METHOD OF POLYMERISATION THEREOF FOR USE ON VEHICLE BODYWORK REPAIR INDUSTRIA CHIMICA REGGIANA I.C.R. S.P.A. (IT) 2005-02-17 WO disclosed