Bumetrizole

Bumetrizole

SCHEMBL8043698

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 4/20 0.41
KDM4E B2RXH2 4/20 0.41
VCAM1 P19320 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.37
EGFR P00533 1/20 0.36
TP53 P04637 1/20 0.36
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34

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 SCHEMBL10836210 0.89 NPC1 (0.52) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL8433097 0.89 NPC1 (0.45) NPC1RAB9APOLBKDM4EVCAM1
Bumetrizole SCHEMBL9419639 0.88 NPC1 (0.49) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL8056551 0.88 NPC1 (0.53) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL8054070 0.88 NPC1 (0.53) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL8603228 0.88 NPC1 (0.53) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL23734 0.88 NPC1 (0.53) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL2398487 0.88 NPC1 (0.53) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL29353083 0.88 NPC1 (0.53) NPC1RAB9APOLBKDM4EALDH1A1
Bumetrizole SCHEMBL9577821 0.87 NPC1 (0.48) NPC1RAB9APOLBKDM4EALDH1A1

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-6110566-A ARTICLE WITH DURABLE COLOR, FLUORESCENT PROPERTIES COMPRISING MATRIX OF SOLVENT-FREE POLYVINYL CHLORIDE; A THIOXANTHENE FLUORESCENT DYE; AND HINDERED AMINE LIGHT STABILIZER WITH SECONDARY OR TERTIARY AMINE GROUPS AND GIVEN MOLECULAR WEIGHT 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-08-29 US disclosed
US-5583169-A Stabilization of polyaniline solutions through additives THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 1996-12-10 US disclosed