Bumetrizole

Bumetrizole

SCHEMBL11049044

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
HSPA5 P11021 1/20 0.35
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
IDE P14735 1/20 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
Bumetrizole SCHEMBL3834201 0.94 NPC1 (0.45) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL9577821 0.92 NPC1 (0.48) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL9419639 0.91 NPC1 (0.49) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL8603228 0.91 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL23734 0.91 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL8056551 0.91 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL8054070 0.91 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL2398487 0.91 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL29353083 0.91 NPC1 (0.53) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Bumetrizole SCHEMBL9273939 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4429005-A REACTION PRODUCT OF TRIETHOXY/3,ISOCYANATOPROPYL/SILANE AND POOLYESTER MORTON THIOKOL, INC. (US) 1984-01-31 US disclosed
US-4408021-A ADHERING POLYESTER FILMS TO GLASS MORTON THIOKOL, INC. (US) 1983-10-04 US disclosed