SCHEMBL6674010

SCHEMBL6674010

O=[N+]([O-])c1cccc(-c2cccnn2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
KEAP1 Q14145 6/20 0.56
NFE2L2 Q16236 6/20 0.56
IDO1 P14902 1/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.49
TOP1 P11387 1/20 0.49
PDE4D Q08499 1/20 0.49

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
SCHEMBL28503258 0.81 RAB9A (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2643483 0.79 NPC1 (0.67) MAPTKEAP1NFE2L2IDO1RAB9A
SCHEMBL29496951 0.79 NPC1 (0.67) MAPTKEAP1NFE2L2IDO1RAB9A
SCHEMBL29496950 0.79 NPC1 (0.67) MAPTKEAP1NFE2L2IDO1RAB9A
SCHEMBL26783309 0.77 KEAP1 (0.57) MAPTKEAP1NFE2L2IDO1RAB9A
SCHEMBL6738366 0.76 TSHR (0.76) MAPTIDO1RAB9ANPC1SMN1; SMN2
SCHEMBL30914344 0.76 MAPT (0.63) MAPTKEAP1NFE2L2IDO1RAB9A
SCHEMBL929507 0.76 MAPT (0.63) MAPTKEAP1NFE2L2IDO1RAB9A
SCHEMBL30461136 0.76 RAB9A (0.69) MAPTKEAP1NFE2L2IDO1RAB9A
SCHEMBL30461135 0.76 RAB9A (0.69) MAPTKEAP1NFE2L2IDO1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP disclosed
US-6472414-B1 Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY 2002-10-29 US disclosed
EP-0904262-A4 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2000-10-04 EP disclosed
EP-0904262-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-31 EP disclosed
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 US disclosed
WO-1997026240-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-24 WO disclosed